Spectral collocation for multiparameter eigenvalue problems arising from separable boundary value problems

Abstract

In numerous science and engineering applications a partial differential equation has to be solved on some fairly regular domain that allows the use of the method of separation of variables. In several orthogonal coordinate systems separation of variables applied to the Helmholtz, Laplace, or Schrödinger equation leads to a multiparameter eigenvalue problem (MEP); important cases include Mathieu’s system, Lamé’s system, and a system of spheroidal wave functions. Although multiparameter approaches are exploited occasionally to solve such equations numerically, MEPs remain less well known, and the variety of available numerical methods is not wide. The classical approach of discretizing the equations using standard finite differences leads to algebraic MEPs with large matrices, which are difficult to solve efficiently.

The aim of this paper is to change this perspective. We show that by combining spectral collocation methods and new efficient numerical methods for algebraic MEPs it is possible to solve such problems both very efficiently and accurately. We improve on several previous results available in the literature, and also present a MATLAB toolbox for solving a wide range of problems.

Authors

Călin-Ioan Gheorghiu
(Tiberiu Popoviciu Institute of Numerical Analysis, Romanian Academy)

Bor Plestenjak
(IMFM and Department of Mathematics, University of Ljubljana)

Michiel E. Hochstenbach
(Department of Mathematics and Computer Science, TU Eindhoven)

Keywords

Helmholtz equation; Schrödinger equation; Separation of variables; Mathieu’s system; Lamé’s system; Spectral methods; Chebyshev collocation; Laguerre collocation; Multiparameter eigenvalue problem; Two-parameter eigenvalue problem; Three-parameter eigenvalue problem; Sylvester equation; Bartels–Stewart method; Subspace methods

References

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Cite this paper as

B. Plestenjak, C.I. Gheorghiu, M.E. Hochstenbach, Spectral collocation for multiparameter eigenvalue problems arising from separable boundary value problems. J. Comput. Phys. 298 (2015) 595-601.
doi: 10.1016/j.jcp.2015.06.015

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Journal of Computational Physics

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Elsevier

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Paper (preprint) in HTML form

Spectral collocation for multiparameter eigenvalue problems arising from separable boundary value problems

Bor Plestenjak a, Călin I. Gheorghiu b, Michiel E. Hochstenbach c
a IMFM and Department of Mathematics, University of Ljubljana, Jadranska 19, SI-1000 Ljubljana, Slovenia
b Romanian Academy, "T. Popoviciu" Institute of Numerical Analysis, PO Box 68, 400110 Cluj-Napoca 1, Romania
c Department of Mathematics and Computer Science, TU Eindhoven, PO Box 513, 5600 MB Eindhoven, The Netherlands.
This author was supported by an NWO Vidi research grant
Abstract

In numerous science and engineering applications a partial differential equation has to be solved on some fairly regular domain that allows the use of the method of separation of variables. In several orthogonal coordinate systems separation of variables applied to the Helmholtz, Laplace, or Schrödinger equation leads to a multiparameter eigenvalue problem (MEP); important cases include Mathieu’s system, Lamé’s system, and a system of spheroidal wave functions. Although multiparameter approaches are exploited occasionally to solve such equations numerically, MEPs remain less well known, and the variety of available numerical methods is not wide. The classical approach of discretizing the equations using standard finite differences leads to algebraic MEPs with large matrices, which are difficult to solve efficiently.
The aim of this paper is to change this perspective. We show that by combining spectral collocation methods and new efficient numerical methods for algebraic MEPs it is possible to solve such problems both very efficiently and accurately. We improve on several previous results available in the literature, and also present a MATLAB toolbox for solving a wide range of problems.

Abstract

Algorithm 2 A Sylvester-Arnoldi method for the nonsingular two-parameter eigenvalue problem (17) with nonsingular Δ2\Delta_{2}. The algorithm returns eigenvalues of Δ2z=μΔ0z\Delta_{2}z=\mu\Delta_{0}z with the smallest absolute value and the corresponding invariant subspace.

Keywords: Helmholtz equation, Schrödinger equation, separation of variables, Mathieu’s system, Lamé’s system, spectral methods, Chebyshev collocation, Laguerre collocation, multiparameter eigenvalue problem, two-parameter eigenvalue problem, three-parameter eigenvalue problem, Sylvester equation, Bartels-Stewart method, subspace methods.

1. Introduction

When we apply separation of variables to the Helmholtz equation of an elliptic membrane, we get Mathieu’s system. This two-parameter eigenvalue problem (2EP) is often used as a motivation for the introduction of multiparameter eigenvalue problems (MEPs), see, e.g., [41]. Yet, it was not until [16] that this approach was actually used to compute the eigenfrequencies of an elliptic membrane. In [16] it is shown that the two-parameter approach has certain advantages with respect to the accuracy as well as to the required computational time and can be used in practice to numerically evaluate a large number of eigenfrequencies.

Compared with [16], this paper presents advances in several directions. First, we consider several other very important problems. In addition to Mathieu’s system, discretization with spectral collocation in conjunction with numerical methods for the obtained algebraic MEP can be applied to Lamé’s system as well as other MEPs that arise by separation of variables. To the best of our knowledge, this technique

00footnotetext: Email addresses: bor.plestenjak@fmf.uni-lj.si (Bor Plestenjak), ghcalin@ictp.acad.ro (Călin I. Gheorghiu)
URL: www.win.tue.nl/˜hochsten/ (Michiel E. Hochstenbach)

has never been applied to these problems until now. In particular, in Example 5 we apply this method to a three-parameter eigenvalue problem (3EP) and compute eigenmodes of a challenging ellipsoidal wave equation.

Second, while a Jacobi-Davidson style solver [19, 20] and standard implicitly restarted Arnoldi [37] were used in [16] to solve the 2EPs, we speed up the computations in this paper even more by exploiting a new fast Sylvester-Arnoldi algorithm for 2EPs from [29]; this algorithm is briefly described in Section 6. Third, we compare with, and improve on several available results in the literature in the numerical examples in Section 7. Finally, we present a MATLAB toolbox for solving MEPs coming from various equations.

The rest of this paper is organized as follows. Section 2 provides several examples of the technique of separation of variables leading to MEPs. A generic form of such MEP is treated in Section 3. In Section 4 we give an overview of the spectral collocation method, which is used to discretize a MEP into an algebraic MEP. This eigenvalue problem is presented in Section 5. In Section 6 we give an overview of available numerical methods for algebraic MEPs with an emphasis on the recent Sylvester-Arnoldi method from [29]. An important part of the paper are the numerical examples in Section 7. In several examples we demonstrate that spectral collocation combined with the Sylvester-Arnoldi method can compute several hundreds of the smallest eigenmodes very efficiently and accurately; we hereby improve various previous results. In the appendix we describe the main functions in a freely available MATLAB toolbox MultiParEig that contains the implementations of all algorithms and numerical examples from this paper.

2. Motivating problems

Whenever the separation of variables is used to solve a boundary value problem related to a PDE, a system of ODEs is obtained in the first instance. Then, the boundary conditions of the problem at hand dictate boundary conditions for the unknowns of the systems of ODEs involved. Consequently, a MEP is now well defined.

In this section we give some examples of boundary value problems where separation of variables leads to MEPs. We do not attempt to describe all possible situations; for a good overview of all possible coordinate systems and related boundary value problems, see, e.g., [25, 30, 32, 46]. Additional examples together with numerical solutions can be found in Section 7.

2.1. Mathieu’s system

This is probably the most well-known example of a 2EP. Separation of variables applied to the twodimensional Helmholtz equation 2u+ω2u=0\nabla^{2}u+\omega^{2}u=0 in elliptic coordinates

x=hcosh(ξ)cos(η),\displaystyle x=h\cosh(\xi)\cos(\eta),
y=hsinh(ξ)sin(η),\displaystyle y=h\sinh(\xi)\sin(\eta),

where 0ξ<0\leq\xi<\infty and 0η<2π0\leq\eta<2\pi, leads to u=G(η)F(ξ)u=G(\eta)F(\xi), where GG and FF satisfy the coupled system of Mathieu’s angular and radial equations (for details, see, e.g., [41])

G′′(η)+(λ2μcos(2η))G(η)=0\displaystyle G^{\prime\prime}(\eta)+(\lambda-2\mu\cos(2\eta))G(\eta)=0
F′′(ξ)(λ2μcosh(2ξ))F(ξ)=0\displaystyle F^{\prime\prime}(\xi)-(\lambda-2\mu\cosh(2\xi))F(\xi)=0 (1)

The parameter μ\mu is related to the eigenfrequency ω\omega by μ=14h2ω2\mu=\frac{1}{4}h^{2}\omega^{2}, where h=α2β2h=\sqrt{\alpha^{2}-\beta^{2}} with α=hcosh(ξ0)\alpha=h\cosh\left(\xi_{0}\right) (the major axis) and β=hsinh(ξ0)\beta=h\sinh\left(\xi_{0}\right) (the minor axis of the membrane), and λ\lambda is a separation constant. The problem along with the appropriate boundary conditions is treated as a 2EP in [16] and solved numerically very accurately and efficiently with the Chebyshev collocation. As discussed in the introduction, we will extend the results in [16] considerably in several ways.

2.2. Lamé’s system

When separation of variables is applied to the three-dimensional Helmholtz equation 2u+ω2u=0\nabla^{2}u+\omega^{2}u=0 in sphero-conal coordinates

x=rcos(φ)(1k2cos2(θ))1/2\displaystyle x=r\cos(\varphi)\left(1-k^{\prime 2}\cos^{2}(\theta)\right)^{1/2}
y=rcos(θ)(1k2cos2(φ))1/2\displaystyle y=r\cos(\theta)\left(1-k^{2}\cos^{2}(\varphi)\right)^{1/2}
z=rsin(θ)sin(ϕ)\displaystyle z=r\sin(\theta)\sin(\phi)

where r0,0θ2π,0ϕπ,0k,k1r\geq 0,0\leq\theta\leq 2\pi,0\leq\phi\leq\pi,0\leq k,k^{\prime}\leq 1, and k2+k2=1k^{2}+k^{\prime 2}=1, it gives u=R(r)L(φ)N(θ)u=R(r)L(\varphi)N(\theta), where R,LR,L, and NN satisfy the system of differential equations

r2R′′(r)+2rR(r)+[ω2r2ρ(ρ+1)]R(r)\displaystyle r^{2}R^{\prime\prime}(r)+2rR^{\prime}(r)+\left[\omega^{2}r^{2}-\rho(\rho+1)\right]R(r) =0,\displaystyle=0, (2)
(1k2cos2(φ))L′′(φ)+k2sin(φ)cos(φ)L(φ)+[k2ρ(ρ+1)sin2(φ)+δ]L(φ)\displaystyle\left(1-k^{2}\cos^{2}(\varphi)\right)L^{\prime\prime}(\varphi)+k^{2}\sin(\varphi)\cos(\varphi)L^{\prime}(\varphi)+\left[k^{2}\rho(\rho+1)\sin^{2}(\varphi)+\delta\right]L(\varphi) =0,\displaystyle=0, (3)
(1k2cos2(θ))N′′(θ)+k2sin(θ)cos(θ)N(θ)+[k2ρ(ρ+1)sin2(θ)δ]N(θ)\displaystyle\left(1-k^{\prime 2}\cos^{2}(\theta)\right)N^{\prime\prime}(\theta)+k^{\prime 2}\sin(\theta)\cos(\theta)N^{\prime}(\theta)+\left[k^{\prime 2}\rho(\rho+1)\sin^{2}(\theta)-\delta\right]N(\theta) =0,\displaystyle=0, (4)

where ρ(ρ+1)\rho(\rho+1) and δ\delta are separation constants. System (3)-(4) is a trigonometric form of Lamé’s pair of differential equations, which forms a 2EP together with boundary conditions. All three equations along with the boundary conditions form a 3EP; still, the main problem is to solve (3)-(4), as for each solution of this 2EP we can insert ρ(ρ+1)\rho(\rho+1) in (2) and solve it. For details, see, e.g., [9], [24], or [46, Sect. 15]. When we start with the Laplace equation 2u=0\nabla^{2}u=0, we get the same system as the above without the ω2\omega^{2} term in (2).

2.3. Bessel wave equations

The solution of the three-dimensional Helmholtz equation 2u+ω2u=0\nabla^{2}u+\omega^{2}u=0 in parabolic rotational coordinates

x=ξηcos(ϕ)\displaystyle x=\xi\eta\cos(\phi)
y=ξηsin(ϕ)\displaystyle y=\xi\eta\sin(\phi)
z=12(η2ξ2)\displaystyle z=\frac{1}{2}\left(\eta^{2}-\xi^{2}\right)

where 0ξ,η<0\leq\xi,\eta<\infty and 0<ϕ<2π0<\phi<2\pi, is u=Φ(ϕ)M(ξ)N(η)u=\Phi(\phi)M(\xi)N(\eta), where Φ,M\Phi,M, and NN satisfy the system of differential equations

Φ′′(ϕ)+k32Φ(ϕ)\displaystyle\Phi^{\prime\prime}(\phi)+k_{3}^{2}\Phi(\phi) =0,\displaystyle=0, (5)
ξ2M′′(ξ)+ξM(ξ)+(k2ξ2+ω2ξ4k32)M(ξ)\displaystyle\xi^{2}M^{\prime\prime}(\xi)+\xi M^{\prime}(\xi)+\left(k_{2}\xi^{2}+\omega^{2}\xi^{4}-k_{3}^{2}\right)M(\xi) =0,\displaystyle=0, (6)
η2N′′(η)+ηN(η)(k2η2ω2η4+k32)N(η)\displaystyle\eta^{2}N^{\prime\prime}(\eta)+\eta N^{\prime}(\eta)-\left(k_{2}\eta^{2}-\omega^{2}\eta^{4}+k_{3}^{2}\right)N(\eta) =0,\displaystyle=0, (7)

where k2k_{2} and k3k_{3} are separation parameters. A solution of (5) is Φ(ϕ)=eipϕ\Phi(\phi)=e^{ip\phi}, where p=±k3p=\pm k_{3}. Whenever a periodicity condition, i.e., Φ(0)=Φ(2π),Φ(0)=Φ(2π)\Phi(0)=\Phi(2\pi),\Phi^{\prime}(0)=\Phi^{\prime}(2\pi), is imposed to the solution of (5), the parameter pp becomes an integer. When we fix k3=pk_{3}=p, the remaining two equations (6)-(7) (known as the Bessel wave equations), subject to the appropriate boundary conditions, give a 2EP. For details see, e.g., [28] or [46, Sect. 14].

2.4. Lamé (ellipsoidal) wave equations

The solution of the three-dimensional Helmholtz equation 2u+ω2u=0\nabla^{2}u+\omega^{2}u=0 in ellipsoidal coordinates [32, Sect. 29.18(ii)] is u=u1(α)u2(β)u3(γ)u=u_{1}(\alpha)u_{2}(\beta)u_{3}(\gamma), where u1,u2u_{1},u_{2}, and u3u_{3} satisfy the Lamé or ellipsoidal wave equations, which can be expressed in Jacobian form

u1′′(α)+[hv(v+1)k2sn2(α,k)+k2ω2sn4(α,k)]u1(α)\displaystyle u_{1}^{\prime\prime}(\alpha)+\left[h-v(v+1)k^{2}\mathrm{sn}^{2}(\alpha,k)+k^{2}\omega^{2}\mathrm{sn}^{4}(\alpha,k)\right]u_{1}(\alpha) =0\displaystyle=0
u2′′(β)+[hv(v+1)k2sn2(β,k)+k2ω2sn4(β,k)]u2(β)\displaystyle u_{2}^{\prime\prime}(\beta)+\left[h-v(v+1)k^{2}\mathrm{sn}^{2}(\beta,k)+k^{2}\omega^{2}\mathrm{sn}^{4}(\beta,k)\right]u_{2}(\beta) =0\displaystyle=0
u3′′(γ)+[hv(v+1)k2sn2(γ,k)+k2ω2sn4(γ,k)]u3(γ)\displaystyle u_{3}^{\prime\prime}(\gamma)+\left[h-v(v+1)k^{2}\mathrm{sn}^{2}(\gamma,k)+k^{2}\omega^{2}\mathrm{sn}^{4}(\gamma,k)\right]u_{3}(\gamma) =0\displaystyle=0

This system along with an appropriate set of boundary conditions gives a 3EP where each of the equations contains all three parameters. In [27] a numerical method is presented that can compute eigenvalues with a prescribed multi-index (the number of sign changes for each uiu_{i} ). It is reported (see, e.g., [4, 45]) that the problem presents unusual computational difficulties and only recently some solutions were computed numerically in [45]. We show in Example 5 that it can be solved numerically quite efficiently by our multiparameter approach with spectral collocation.

2.5. System of spheroidal wave functions

The solution of the three-dimensional Helmholtz equation 2w+ω2w=0\nabla^{2}w+\omega^{2}w=0 in prolate spheroidal coordinates [32, Sect. 30.13(iv)], [46, Sect. 12]) is w=w1(ξ)w2(η)w3(ϕ)w=w_{1}(\xi)w_{2}(\eta)w_{3}(\phi), where w1,w2w_{1},w_{2}, and w3w_{3} satisfy the system of differential equations

(1ξ2)w1′′(ξ)2ξw1(ξ)+(λ+γ2(1ξ2)μ21ξ2)w1(ξ)\displaystyle\left(1-\xi^{2}\right)w_{1}^{\prime\prime}(\xi)-2\xi w_{1}^{\prime}(\xi)+\left(\lambda+\gamma^{2}\left(1-\xi^{2}\right)-\frac{\mu^{2}}{1-\xi^{2}}\right)w_{1}(\xi) =0\displaystyle=0 (8)
(1η2)w2′′(η)2ξw2(η)+(λ+γ2(1η2)μ21η2)w2(η)\displaystyle\left(1-\eta^{2}\right)w_{2}^{\prime\prime}(\eta)-2\xi w_{2}^{\prime}(\eta)+\left(\lambda+\gamma^{2}\left(1-\eta^{2}\right)-\frac{\mu^{2}}{1-\eta^{2}}\right)w_{2}(\eta) =0\displaystyle=0 (9)
w3′′(ϕ)+μ2w3(ϕ)\displaystyle w_{3}^{\prime\prime}(\phi)+\mu^{2}w_{3}(\phi) =0\displaystyle=0 (10)

where γ2=k2c20\gamma^{2}=k^{2}c^{2}\geq 0. This is a 3EP where two of the equations contain all three parameters and one equation contains just one. As before, if a periodicity condition w3(0)=w3(2π),w3(0)=w3(2π)w_{3}(0)=w_{3}(2\pi),w_{3}^{\prime}(0)=w_{3}^{\prime}(2\pi) is imposed to the solution of (10), then parameter μ\mu becomes an integer.

The system (8)-(9) supplied with boundary conditions, for a fixed μ\mu of order 1000 to 10000 , is solved numerically as a 2EP in [3]. A similar system of spheroidal wave functions appears when separation of variables is applied to the three-dimensional Helmholtz equation in oblate spheroidal coordinates [32, Sect. 30.14(iv)], [46, Sect. 13].

3. Multiparameter boundary differential eigenvalue systems

An overview of the theory related to MEPs that are obtained by separation of variables is presented in [6]; see also [12, 36]. In the generic case separation of variables applied to a separable boundary value problem leads to a system of kk differential equations of the form

p1(x1)y1′′(x1)+q1(x1)y1(x1)+r1(x1)y1(x1)=\displaystyle p_{1}\left(x_{1}\right)y_{1}^{\prime\prime}\left(x_{1}\right)+q_{1}\left(x_{1}\right)y_{1}^{\prime}\left(x_{1}\right)+r_{1}\left(x_{1}\right)y_{1}\left(x_{1}\right)= λ1s11y1(x1)++λks1k(x1)y1(x1)\displaystyle\lambda_{1}s_{11}y_{1}\left(x_{1}\right)+\cdots+\lambda_{k}s_{1k}\left(x_{1}\right)y_{1}\left(x_{1}\right)
\displaystyle\vdots (11)
pk(xk)yk′′(xk)+qk(xk)yk(xk)+rk(xk)yk(xk)=\displaystyle p_{k}\left(x_{k}\right)y_{k}^{\prime\prime}\left(x_{k}\right)+q_{k}\left(x_{k}\right)y_{k}^{\prime}\left(x_{k}\right)+r_{k}\left(x_{k}\right)y_{k}\left(x_{k}\right)= λ1sk1yk(xk)++λkskk(xk)yk(xk)\displaystyle\lambda_{1}s_{k1}y_{k}\left(x_{k}\right)+\cdots+\lambda_{k}s_{kk}\left(x_{k}\right)y_{k}\left(x_{k}\right)

together with the appropriate boundary conditions, where k=2k=2 or k=3k=3. We are interested in a kk-tuple (λ1,,λk)\left(\lambda_{1},\ldots,\lambda_{k}\right) and nontrivial functions y1,,yky_{1},\ldots,y_{k} such that equations (11) and the boundary conditions are satisfied. In such case we say that (λ1,,λk)\left(\lambda_{1},\ldots,\lambda_{k}\right) is an eigenvalue of (11). We remark that the numerical
methods from this paper are suitable for all problems of the form (11), regardless if they come from separation of variables or not.

If xi[ai,bi]x_{i}\in\left[a_{i},b_{i}\right], then generic boundary conditions are

αiyi(ai)+βiyi(ai)\displaystyle\alpha_{i}y_{i}\left(a_{i}\right)+\beta_{i}y_{i}^{\prime}\left(a_{i}\right) =0\displaystyle=0
γiyi(bi)+δiyi(bi)\displaystyle\gamma_{i}y_{i}\left(b_{i}\right)+\delta_{i}y_{i}^{\prime}\left(b_{i}\right) =0\displaystyle=0

where (αi,βi)(0,0)\left(\alpha_{i},\beta_{i}\right)\neq(0,0) and (γi,δi)(0,0)\left(\gamma_{i},\delta_{i}\right)\neq(0,0) for i=1,,ki=1,\ldots,k. In some cases boundary conditions can depend on eigenvalue parameters as well.

If the determinant δ(x1,,xk):=det(sij(xi))\delta\left(x_{1},\ldots,x_{k}\right):=\operatorname{det}\left(s_{ij}\left(x_{i}\right)\right) is definite for all xi[ai,bi],i=1,,nx_{i}\in\left[a_{i},b_{i}\right],i=1,\ldots,n, then it is well-known that the problem (11) is solvable, see, e.g., [6, 41]. In addition, the eigenvalues can be ordered by the multi-indices (n1,,nk)\left(n_{1},\ldots,n_{k}\right), which means that the corresponding eigenfunction yi(xi)y_{i}\left(x_{i}\right) has exactly nin_{i} zeros on (ai,bi)\left(a_{i},b_{i}\right) for i=1,,ki=1,\ldots,k.

There exist some numerical methods for MEPs of the form (11). For problems that have additional definiteness properties, a continuation method is proposed in [2]; see also [23]. Once the problem (11) is discretized into an algebraic MEP, all methods from Section 6 can be applied.

Most of the numerical methods are limited to 2EPs, i.e., k=2k=2. A generalization of the shooting method is presented in [7] and a two-dimensional bisection is presented in [22]. A method using the Prüfer transformation that can compute an eigenvalue with a prescribed multi-index is presented in [1] for 2EPs and generalized to 3EPs, i.e., k=3k=3, in [26]. For some numerical methods for 3EPs see, e.g., [27] and the references therein.

4. Spectral methods

In this section we briefly introduce the spectral collocation method, which requires smaller matrices and returns more accurate results when compared with finite differences and finite elements methods. For more details, see, e.g., [10, 13, 15]. The spectral collocation method is based on approximating the solution y(x)y(x) with a finite linear combination of a chosen set of orthogonal function as

y(x)yN1(x)=k=1Nαkφk(x)y(x)\approx y_{N-1}(x)=\sum_{k=1}^{N}\alpha_{k}\varphi_{k}(x) (12)

The coefficients α1,,αN\alpha_{1},\ldots,\alpha_{N} are chosen so that y(xi)=yN1(xi)y\left(x_{i}\right)=y_{N-1}\left(x_{i}\right) for i=1,,Ni=1,\ldots,N, where x1,,xNx_{1},\ldots,x_{N} are distinct collocation nodes. In this sense, yN1(x)y_{N-1}(x) is an interpolating function for y(x)y(x) on the set of collocation nodes. The large positive integer NN is the order of approximation and is also called the cutoff parameter. To accommodate with physics, NN can be viewed as the number of degrees of freedom (of modes) of a system.

Depending on the interval and other properties of the problem, various combinations of basis functions and collocation nodes exist. If the interval is finite, then a common choice is the set of Chebyshev polynomials as basis functions and collocation points are the Chebyshev nodes of the second kind. The method is called Chebyshev collocation ( ChC ) and the nodes on the interval [ 1,1-1,1 ] are defined by

ξj=cos((j1)πN1)\xi_{j}=\cos\left(\frac{(j-1)\pi}{N-1}\right)

for j=1,,Nj=1,\ldots,N (see, e.g., [42, Eq. (13)]).
As we have to discretize each of the equations of (11) independently, it is sufficient to consider one equation. Suppose that we have a differential equation

p(x)y′′(x)+q(x)y(x)+r(x)y(x)=λs(x)y(x)+μt(x)y(x)p(x)y^{\prime\prime}(x)+q(x)y^{\prime}(x)+r(x)y(x)=\lambda s(x)y(x)+\mu t(x)y(x) (13)

on the interval [a,b][a,b]. The ChC discretization of the above equation is

(4(ba)2PDN2+2baQDN+R)f=λSf+μTf,\left(\frac{4}{(b-a)^{2}}PD_{N}^{2}+\frac{2}{b-a}QD_{N}+R\right)f=\lambda Sf+\mu Tf, (14)

where DND_{N} and DN2D_{N}^{2} are first and second order differentiation matrices in the Chebyshev nodes of the second kind and f=[y(x1),,y(xN)]Tf=\left[y\left(x_{1}\right),\ldots,y\left(x_{N}\right)\right]^{T} is the vector of values in the collocation nodes

xj=ba2ξj+a+b2x_{j}=\frac{b-a}{2}\xi_{j}+\frac{a+b}{2}

for j=1,,Nj=1,\ldots,N, which are translated from [1,1][-1,1] to [a,b][a,b]. The matrices P,Q,R,SP,Q,R,S, and TT are diagonal with diagonal elements p(xj),q(xj),r(xj),s(xj)p\left(x_{j}\right),q\left(x_{j}\right),r\left(x_{j}\right),s\left(x_{j}\right), and t(xj)t\left(x_{j}\right), respectively

We use the seminal paper [43] to obtain the entries of the differentiation matrices DND_{N} and DN2D_{N}^{2}; see also [11] for Maple code and [40] for MATLAB code. The matrices DND_{N} and DN2D_{N}^{2} are dense, non-symmetric, and have much higher condition numbers as the corresponding symmetric tridiagonal finite difference matrices of the same size; see, e.g., [15, Fig. 3.13]. However, since discretization with the ChC requires much smaller matrices than with finite differences (see, e.g., [16, Ex. 5]), NN is usually small enough so that the ill-conditioning is not an issue.

To impose the boundary conditions, we apply the simple and general strategy from [21]. Another option is used if boundary conditions depend on eigenvalue parameters. In such case we replace the first and the last equation of (14) with the equations from the boundary conditions. For instance, suppose that the boundary condition for (13) in point aa is

(α1+α2λ+α3μ)y(a)+(β1+β2λ+β3μ)y(a)=0.\left(\alpha_{1}+\alpha_{2}\lambda+\alpha_{3}\mu\right)y(a)+\left(\beta_{1}+\beta_{2}\lambda+\beta_{3}\mu\right)y^{\prime}(a)=0.

We write the above as

(α+α2λ+α3μ)[100]f+(β1+β2λ+β3μ)ba2DN(1,:)f=0,\left(\alpha+\alpha_{2}\lambda+\alpha_{3}\mu\right)[10\cdots 0]f+\left(\beta_{1}+\beta_{2}\lambda+\beta_{3}\mu\right)\frac{b-a}{2}D_{N}(1,:)f=0,

where DN(1,:)D_{N}(1,:) is the first row of DND_{N}, and replace the first row of (14) with the above equation. We proceed similarly in point bb.

In many cases the boundary conditions are behavioral, which means that they are satisfied implicitly by choosing basis functions that have the required property or behavior. For instance, suppose that the differential equation (13) has singularity at the endpoint aa such that p(a)=0p(a)=0 and the boundary condition is that the solution should be bounded at aa. As the Chebyshev polynomials (translated from [1,1][-1,1] to [a,b][a,b] ) are analytic at the endpoints, their sum satisfies the boundedness condition at x=ax=a and no additional explicit conditions are needed. Since collocation points in the ChC include the endpoints, the first equation of (14), which corresponds to the collocation point x=ax=a, imposes the boundary condition at x=ax=a obtained from (13) by taking the limit xax\rightarrow a. For more details, see [10, Section 6.3].

In case of the half line [ 0,0,\infty ) we use the Laguerre collocation (LC) (see, e.g., [15]). The basis functions are products of Laguerre polynomials and the weight function e12bxe^{-\frac{1}{2}bx}, where b>0b>0 is the scaling parameter. The collocation nodes are x1=0<x2/b<<xN/bx_{1}=0<x_{2}/b<\cdots<x_{N}/b, where x2,,xNx_{2},\ldots,x_{N} are the roots of the Laguerre polynomial LN1L_{N-1} of degree N1N-1. When we use the LC, the boundary condition at infinity, which has to be limxy(x)=0\lim_{x\rightarrow\infty}y(x)=0, is automatically satisfied. The LC differentiation is exact for functions of the form y(x)=e12bxp(x)y(x)=e^{-\frac{1}{2}bx}p(x), where p(x)p(x) is a polynomial of degree N1\leq N-1. The scaling parameter bb has to be carefully chosen according to how fast the solution decays to zero as xx\rightarrow\infty.

5. Algebraic multiparameter eigenvalue problems

When we discretize the MEP (11) we obtain an algebraic MEP, which has the form

A10x1\displaystyle A_{10}x_{1} =λ1A11x1++λkA1kx1\displaystyle=\lambda_{1}A_{11}x_{1}+\cdots+\lambda_{k}A_{1k}x_{1} (15)
\displaystyle\vdots
Ak0xk\displaystyle A_{k0}x_{k} =λ1Ak1xk++λkAkkxk,\displaystyle=\lambda_{1}A_{k1}x_{k}+\cdots+\lambda_{k}A_{kk}x_{k},

where AijA_{ij} is an ni×nin_{i}\times n_{i} complex matrix for i=1,,ki=1,\ldots,k and j=0,,kj=0,\ldots,k. A kk-tuple ( λ1,,λk\lambda_{1},\ldots,\lambda_{k} ) is an eigenvalue if it satisfies (15) for nonzero vectors x1n1,,xknkx_{1}\in\mathbb{C}^{n_{1}},\ldots,x_{k}\in\mathbb{C}^{n_{k}}. The corresponding eigenvector is the tensor product x1xkx_{1}\otimes\cdots\otimes x_{k}. Introducing the so-called k×kk\times k operator determinants

Δ0=|A11A1kAk1Akk| and Δi=|A11A1,i1A10A1,i+1A1kAk1Ak,i1Ak0Ak,i+1Akk|\Delta_{0}=\left|\begin{array}[]{ccc}A_{11}&\cdots&A_{1k}\\ \vdots&&\vdots\\ A_{k1}&\cdots&A_{kk}\end{array}\right|_{\otimes}\quad\text{ and }\quad\Delta_{i}=\left|\begin{array}[]{ccccccc}A_{11}&\cdots&A_{1,i-1}&A_{10}&A_{1,i+1}&\cdots&A_{1k}\\ \vdots&&\vdots&\vdots&&&\vdots\\ A_{k1}&\cdots&A_{k,i-1}&A_{k0}&A_{k,i+1}&\cdots&A_{kk}\end{array}\right|_{\otimes}

for i=1,,ki=1,\ldots,k, where the Kronecker product \otimes is used instead of multiplication, we obtain matrices Δ0,,Δk\Delta_{0},\ldots,\Delta_{k} of size n1nk×n1nkn_{1}\cdots n_{k}\times n_{1}\cdots n_{k}. If Δ0\Delta_{0} is nonsingular, then the matrices Δ01Δ1,,Δ01Δk\Delta_{0}^{-1}\Delta_{1},\ldots,\Delta_{0}^{-1}\Delta_{k} commute and (15) is equivalent (for details, see, e.g., [5]) to a system of generalized eigenvalue problems

Δ1z\displaystyle\Delta_{1}z =λ1Δ0z\displaystyle=\lambda_{1}\Delta_{0}z (16)
\displaystyle\vdots
Δkz\displaystyle\Delta_{k}z =λkΔ0z\displaystyle=\lambda_{k}\Delta_{0}z

for decomposable tensors z=x1xkz=x_{1}\otimes\cdots\otimes x_{k}. This relation enables one to use standard numerical methods for the computation of eigenvalues if the Δ\Delta-matrices are not too large. However, when we use spectral methods to discretize (11), then usually even for k=2k=2 the Δ\Delta-matrices are so large that it is not efficient or even not feasible to compute all the eigenvalues. The available numerical methods are presented in the next section.

Let us mention that if we discretize a self-adjoint MEP (11) obtained via the separation of variables using the spectral collocation method from Section 4, then the algebraic MEP is solvable, although it is not self-adjoint (since matrices DND_{N} and DN2D_{N}^{2} are not symmetric). Namely, the matrices AijA_{ij} for i,j=1,,ki,j=1,\ldots,k are all diagonal and if δ(x1,,xk):=det(sij(xi))\delta\left(x_{1},\ldots,x_{k}\right):=\operatorname{det}\left(s_{ij}\left(x_{i}\right)\right) is definite for all xi[ai,bi],i=1,,nx_{i}\in\left[a_{i},b_{i}\right],i=1,\ldots,n, then the corresponding operator determinant Δ0\Delta_{0} is nonsingular.

Example 1. For future reference, we give (15) and the corresponding operator determinants for the case k=2k=2. An algebraic 2EP has the form

A1x1=λB1x1+μC1x1\displaystyle A_{1}x_{1}=\lambda B_{1}x_{1}+\mu C_{1}x_{1} (17)
A2x2=λB2x2+μC2x2\displaystyle A_{2}x_{2}=\lambda B_{2}x_{2}+\mu C_{2}x_{2}

The eigenvalue is a pair ( λ,μ\lambda,\mu ) which satisfies (17) for nonzero vectors x1x_{1} and x2x_{2}. The corresponding 2×22\times 2 operator determinants of size n1n2×n1n2n_{1}n_{2}\times n_{1}n_{2} are

Δ0=B1C2C1B2\displaystyle\Delta_{0}=B_{1}\otimes C_{2}-C_{1}\otimes B_{2}
Δ1=A1C2C1A2\displaystyle\Delta_{1}=A_{1}\otimes C_{2}-C_{1}\otimes A_{2} (18)
Δ2=B1A2A1B2\displaystyle\Delta_{2}=B_{1}\otimes A_{2}-A_{1}\otimes B_{2}

If Δ0\Delta_{0} is nonsingular, then Δ01Δ1\Delta_{0}^{-1}\Delta_{1} and Δ01Δ2\Delta_{0}^{-1}\Delta_{2} commute and (17) is equivalent to a coupled pair of generalized eigenvalue problems

Δ1z=λΔ0z\displaystyle\Delta_{1}z=\lambda\Delta_{0}z (19)
Δ2z=μΔ0z\displaystyle\Delta_{2}z=\mu\Delta_{0}z

for decomposable tensors z=x1x2z=x_{1}\otimes x_{2}. This will be used in all our numerical examples.

6. Numerical methods

If the size n1nkn_{1}\cdots n_{k} of the Δ\Delta-matrices in (16) is small enough, say n1nk1000n_{1}\cdots n_{k}\leq 1000 on a typical laptop, we can efficiently compute all eigenvalues of a MEP (15) from the related system of generalized eigenvalue problems (16). This numerical algorithm, which is based on the QZ algorithm, is given in Algorithm 1. It was presented in [19] for k=2k=2, and can be generalized in a straightforward way to three or more parameters. The MATLAB toolbox MultiParEig that we describe in the appendix contains implementations of Algorithm 1 and its generalization for k=3k=3.

Algorithm 1 An algorithm for the nonsingular two-parameter eigenvalue problem (17).

  1. 1.

    Compute a generalized Schur decomposition QHΔ0Z=RQ^{H}\Delta_{0}Z=R and QHΔ1Z=SQ^{H}\Delta_{1}Z=S, such that QQ and ZZ are unitary, RR and SS are upper triangular, and multiple values of λi:=sii/rii\lambda_{i}:=s_{ii}/r_{ii} are clustered along the diagonal of R1SR^{-1}S. As a result, RR and SS are partitioned as

R=[R11R12R1p0R22R2p00Rpp],S=[S11S12S1p0S22S2p00Spp]R=\left[\begin{array}[]{cccc}R_{11}&R_{12}&\cdots&R_{1p}\\ 0&R_{22}&\cdots&R_{2p}\\ \vdots&\vdots&\ddots&\vdots\\ 0&0&\cdots&R_{pp}\end{array}\right],\quad S=\left[\begin{array}[]{cccc}S_{11}&S_{12}&\cdots&S_{1p}\\ 0&S_{22}&\cdots&S_{2p}\\ \vdots&\vdots&\ddots&\vdots\\ 0&0&\cdots&S_{pp}\end{array}\right]

where the size of RiiR_{ii} and SiiS_{ii} is mim_{i} and m1++mp=n1n2m_{1}+\cdots+m_{p}=n_{1}n_{2}.
2. Compute diagonal blocks T11,,TppT_{11},\ldots,T_{pp} of T=QHΔ2ZT=Q^{H}\Delta_{2}Z.
3. Compute the eigenvalues μi1,,μimi\mu_{i1},\ldots,\mu_{im_{i}} of Tiiw=μRiiwT_{ii}w=\mu R_{ii}w for i=1,,pi=1,\ldots,p.
4. The eigenvalues of (17) are (λ1,μ11),,(λ1,μ1m1);;(λp,μp1),,(λp,μpmp)\left(\lambda_{1},\mu_{11}\right),\ldots,\left(\lambda_{1},\mu_{1m_{1}}\right);\ldots;\left(\lambda_{p},\mu_{p1}\right),\ldots,\left(\lambda_{p},\mu_{pm_{p}}\right).
5. For each eigenvalue (λ,μ)(\lambda,\mu) compute the eigenvector x1x2x_{1}\otimes x_{2} by inverse iteration on
AiλBiμCiA_{i}-\lambda B_{i}-\mu C_{i} for i=1,2i=1,2.

If n1nkn_{1}\cdots n_{k} is too large then it is not efficient or even not feasible to compute all the eigenvalues. Instead, we can compute a subset of eigenvalues by an iterative method. For k=2k=2, if we are looking for eigenvalues (λ,μ)(\lambda,\mu) close to a given target (σ,τ)(\sigma,\tau), then a method of choice is the harmonic version [20] of the Jacobi-Davidson method [19], which can also be easily generalized to three or more parameters. For an overview of other numerical methods, see, e.g., [19] and references therein.

In the remainder we will focus on numerical methods for 2EPs. Recently, a set of algorithms was presented in [29] that are very suitable for 2EPs related to separable boundary value problems. In many applications, for instance when we consider the Helmholtz equation 2u+ω2u=0\nabla^{2}u+\omega^{2}u=0, only one of the eigenvalue parameters λ\lambda and μ\mu is related to ω\omega and thus relevant. Without loss of generality we can assume that this parameter is μ\mu. In a typical situation we are interested in a number mm of the lowest eigenfrequencies ω\omega and the corresponding eigenmodes. Usually, the problem can be reformulated in such way that we have to find the mm eigenvalues (λ,μ)(\lambda,\mu) with the smallest |μ||\mu|.

While a problem (11) usually has infinitely many eigenvalues, each discretization (17) has only finitely many eigenvalues. We may expect that some of them are good approximations to the eigenvalues of (11) while the remaining ones contain no useful information. For one-parameter problems, a heuristic suggested in [10, Rule-of-Thumb 8, p. 132] states:

In solving a linear eigenvalue problem by a spectral method using N+1N+1 terms in the truncated spectral series, the lowest 12N\frac{1}{2}N eigenvalues are usually accurate to within a few percent while the larger 12N\frac{1}{2}N numerical eigenvalues differ from those of differential equation by such large amounts as to be useless.

Much time and energy has been spent along the last decades in the invention of slight modifications to standard spectral methods in order to solve the "spurious eigenvalue" difficulty (see, e.q., [18] and [10, Sections 7.5 and 7.6]). On one hand there are physically spurious eigenvalues that are numericallycomputed ones which are in error because of misapplication of boundary conditions or some other misrepresentation of the physics. The original continuous MEPs that we consider are self-adjoint, physically well established, and consequently the appearance of such spurious eigenvalues is highly unlikely. On the other hand we can always expect some numerically spurious eigenvalues that are poor approximation to exact eigenvalues because the mode is oscillating too rapidly to be resolved by NN degrees of freedom. Such numerically spurious eigenvalue can be computed accurately by using sufficiently large NN. This explains the fairly high accuracy in computing the "smallest" eigenvalue for a self-adjoint problem with target oriented algorithms.

As a reliable test it is suggested in [10] to repeat the calculations with different NN and compare the results. It is also noted that the number of good eigenvalues may be smaller if the modes have boundary layers, critical levels, or other areas of very rapid change, or when the interval is unbounded. We will not discuss the convergence here, but, as we increase the sizes of the matrices in (17), more and more eigenvalues of (17) should converge to exact eigenvalues of (11) and the eigenvalues with the smallest value of |μ||\mu| typically converge among first.

The sizes n1n_{1} and n2n_{2} depend on the number mm of the wanted lowest eigenfrequencies and on the required accuracy. Usually mn1n2m\ll n_{1}n_{2} and if n1n2n_{1}n_{2} is small, we can compute all values μ\mu from the generalized eigenvalue problem Δ2z=μΔ0z\Delta_{2}z=\mu\Delta_{0}z. If n1n2n_{1}n_{2} is too large for Algorithm 1, then we can apply the implicitly restarted Arnoldi method [37], Krylov-Schur method [38], or any other iterative method based on Krylov subspaces, to the matrix Γ21:=Δ21Δ0\Gamma_{2}^{-1}:=\Delta_{2}^{-1}\Delta_{0}. To do this, we must be able to efficiently multiply by Γ21\Gamma_{2}^{-1}, i.e., to solve a system

Δ2w=Δ0z\Delta_{2}w=\Delta_{0}z (20)

for a given vector zz. In principle, the complexity of the above step is 𝒪(n13n23)\mathscr{O}\left(n_{1}^{3}n_{2}^{3}\right) as the matrices Δ0,Δ1\Delta_{0},\Delta_{1}, and Δ2\Delta_{2} are of size n1n2×n1n2n_{1}n_{2}\times n_{1}n_{2}. But, by formulating (20) as a Sylvester equation, we can solve it in 𝒪(n13+n23)\mathscr{O}\left(n_{1}^{3}+n_{2}^{3}\right). The key to the big reduction is the well-known equality

(AB)vec(X)=vec(BXAT)(A\otimes B)\operatorname{vec}(X)=\operatorname{vec}\left(BXA^{T}\right)

which enables us to write (20), i.e., (B1A2A1B2)w=(B1C2C1B2)z\left(B_{1}\otimes A_{2}-A_{1}\otimes B_{2}\right)w=\left(B_{1}\otimes C_{2}-C_{1}\otimes B_{2}\right)z, as

A2WB1TB2WA1T=C2ZB1TB2ZC1T=:MA_{2}WB_{1}^{T}-B_{2}WA_{1}^{T}=C_{2}ZB_{1}^{T}-B_{2}ZC_{1}^{T}=:M

where z=vec(Z)z=\operatorname{vec}(Z) and w=vec(W)w=\operatorname{vec}(W). We get the Sylvester equation

A21B2WWB1TA1T=A21MA1TA_{2}^{-1}B_{2}W-WB_{1}^{T}A_{1}^{-T}=-A_{2}^{-1}MA_{1}^{-T}

which can be solved in 𝒪(n13+n23)\mathscr{O}\left(n_{1}^{3}+n_{2}^{3}\right) by the Bartels-Stewart algorithm [8]. The overall algorithm from [29], which is included in MATLAB toolbox MultiParEig, is given in Algorithm 2.

Here we give some additional explanation about Algorithm 2, for more details see [29]. The algorithm requires that A1A_{1} and A2A_{2} are both nonsingular. If this is not the case, then it follows from [29, Lemma 3.1] that there exists θ\theta such that A1θB1A_{1}-\theta B_{1} and A2θB2A_{2}-\theta B_{2} are both nonsingular. When we find such θ\theta, which is not difficult as there are only finitely many inappropriate values, we apply the shift λ=λ~+θ\lambda=\widetilde{\lambda}+\theta and use Algorithm 2 on the shifted problem

(A1θB1)x1=λ~B1x1+μC1x1\displaystyle\left(A_{1}-\theta B_{1}\right)x_{1}=\widetilde{\lambda}B_{1}x_{1}+\mu C_{1}x_{1}
(A2θB2)x2=λ~B2x2+μC2x2\displaystyle\left(A_{2}-\theta B_{2}\right)x_{2}=\widetilde{\lambda}B_{2}x_{2}+\mu C_{2}x_{2} (21)
  1. 1.

    Compute Schur decompositions A21B2=U1R1U1HA_{2}^{-1}B_{2}=U_{1}R_{1}U_{1}^{H} and B1TA1T=U2R2U2HB_{1}^{T}A_{1}^{-T}=U_{2}R_{2}U_{2}^{H}.

  2. 2.

    Apply implicitly restarted Arnoldi or Krylov-Schur method on Γ21:=Δ21Δ0\Gamma_{2}^{-1}:=\Delta_{2}^{-1}\Delta_{0}, where in each step the product w=Γ21zw=\Gamma_{2}^{-1}z is computed as:
    (a) set matrix ZZ such that z=vec(Z)z=\operatorname{vec}(Z)
    (b) solve Sylvester equation R1WWR2=U1HA21ZA1TU2R_{1}W-WR_{2}=-U_{1}^{H}A_{2}^{-1}ZA_{1}^{-T}U_{2}
    (c) w=vec(W)w=\operatorname{vec}(W)

Once we have an eigenpair ( μ,z\mu,z ) of Δ2z=μΔ0z\Delta_{2}z=\mu\Delta_{0}z, it is easy to compute the eigenvalue ( λ,μ\lambda,\mu ) and the vectors x1x_{1} and x2x_{2} of (17). The eigenvector z=x1x2z=x_{1}\otimes x_{2} is decomposable and if z=vec(Z)z=\operatorname{vec}(Z), then ZZ has rank one and Z=x2x1TZ=x_{2}x_{1}^{T}. Thus, we can extract x1x_{1} and x2x_{2} from the singular value decomposition of ZZ. From x1x_{1} and x2x_{2} the eigenvalue parameter λ\lambda can be computed from the tensor Rayleigh quotient [34] efficiently as

λ=zHΔ1zzHΔ0z=(x1HA1x1)(x2HC2x2)(x1HC1x1)(x2HA2x2)(x1HB1x1)(x2HC2x2)(x1HC1x1)(x2HB2x2).\lambda=\frac{z^{H}\Delta_{1}z}{z^{H}\Delta_{0}z}=\frac{\left(x_{1}^{H}A_{1}x_{1}\right)\left(x_{2}^{H}C_{2}x_{2}\right)-\left(x_{1}^{H}C_{1}x_{1}\right)\left(x_{2}^{H}A_{2}x_{2}\right)}{\left(x_{1}^{H}B_{1}x_{1}\right)\left(x_{2}^{H}C_{2}x_{2}\right)-\left(x_{1}^{H}C_{1}x_{1}\right)\left(x_{2}^{H}B_{2}x_{2}\right)}.

In the case of three or more parameters, we are not aware of a method that reduces the complexity of solving the linear system with the Δ\Delta-matrices in a similar way as in Algorithm 2; this is left for future research. We can apply any iterative method based on Krylov subspaces on the Δ\Delta-matrices, but since we use full vectors of size n1nkn_{1}\cdots n_{k}, we cannot use as many collocation points as for 2EPs.

7. Numerical examples

In this section we give some numerical examples that show the strengths of the proposed approach and explain some further details. From the literature we take several boundary value problems that lead to some 2EPs and one 3EP, and solve them numerically with the methods proposed in the paper using MATLAB toolbox MultiParEig [35]. In many cases our numerical results are more accurate than the previously reported in the literature and we also give more eigenmodes. Fast computational times show that it is possible to numerically solve many separable boundary value problems efficiently as MEPs.

The following numerical examples were obtained on 64-bit Windows version of Matlab R2012b running on Intel(R)Core(TM)\operatorname{Intel}(\mathrm{R})\operatorname{Core}(\mathrm{TM}) i5-4670 3.40 Ghz processor and 16 GB of RAM.

Example 1. In the first example, which is based on [31], we consider Lamé’s system (see Subsection 2.2), related to the problem of computing the strength of a charge singularity of a flat plate for corner angle 0<χ<2π0<\chi<2\pi :

[1k2cos2(φ)]L′′(φ)+k2sin(φ)cos(φ)L(φ)+[k2ρ(ρ+1)sin2(φ)+δ]L(φ)=0,[1k2cos2(θ)]N′′(θ)+k2sin(θ)cos(θ)N(θ)+[k2ρ(ρ+1)sin2(θ)δ]N(θ)=0,\begin{array}[]{r}{\left[1-k^{2}\cos^{2}(\varphi)\right]L^{\prime\prime}(\varphi)+k^{2}\sin(\varphi)\cos(\varphi)L^{\prime}(\varphi)+\left[k^{2}\rho(\rho+1)\sin^{2}(\varphi)+\delta\right]L(\varphi)=0,}\\ {\left[1-k^{\prime 2}\cos^{2}(\theta)\right]N^{\prime\prime}(\theta)+k^{\prime 2}\sin(\theta)\cos(\theta)N^{\prime}(\theta)+\left[k^{\prime 2}\rho(\rho+1)\sin^{2}(\theta)-\delta\right]N(\theta)=0,}\end{array}

where r0,0θ2π,0ϕπ,0k,k1r\geq 0,0\leq\theta\leq 2\pi,0\leq\phi\leq\pi,0\leq k,k^{\prime}\leq 1, and k2+k2=1k^{2}+k^{\prime 2}=1. Since the problem is located in the half-space z0z\geq 0, the range of θ\theta can be reduced to [0,π][0,\pi]. For the solution N(θ)N(\theta) it either holds N(𝝅𝜽)=N(𝜽)N(\boldsymbol{\pi}-\boldsymbol{\theta})=N(\boldsymbol{\theta}) so that N(𝝅/2)=0N^{\prime}(\boldsymbol{\pi}/2)=0, or N(𝝅𝜽)=N(𝜽)N(\boldsymbol{\pi}-\boldsymbol{\theta})=-N(\boldsymbol{\theta}) and hence N(𝝅/2)=0N(\boldsymbol{\pi}/2)=0. Therefore, it suffices to consider θ[0,π2]\theta\in\left[0,\frac{\pi}{2}\right]. The relevant boundary conditions for our case are L(0)=L(π)=0L(0)=L^{\prime}(\pi)=0 and N(0)=N(π/2)=0N^{\prime}(0)=N^{\prime}(\pi/2)=0 if 0<χ<π0<\chi<\pi or N(0)=N(π/2)=0N(0)=N^{\prime}(\pi/2)=0 if π<χ<2π\pi<\chi<2\pi. The goal is to compute the smallest ρ>0\rho>0 for k=sin(|πχ|/2)k=\sin(|\pi-\chi|/2). This problem is solved numerically as a 2EP in [29] using finite
differences, where quite large matrices (of size 40000×4000040000\times 40000 ) are needed for accurate results. Using the ChC discretization more accurate results can be obtained with much smaller matrices.

We set λ=δ,μ=ρ(ρ+1)\lambda=\delta,\mu=\rho(\rho+1) and discretize (22) and (23) using the ChC. In the discretized problem (17), A1A_{1} and A2A_{2} are full, C1C_{1} and C2C_{2} are diagonal, and B1-B_{1} and B2B_{2} are identity matrices. Due to the boundary conditions, matrices A2,C1A_{2},C_{1}, and C2C_{2} are singular. We fix this by shifting λ\lambda so that we can apply the implicitly restarted Arnoldi version of Algorithm 2. We take the rather arbitrary shift λ=λ~10\lambda=\widetilde{\lambda}-10 and then numerically solve the shifted problem (21) for θ=10\theta=-10. Numerical experiments show that the use of 60 collocation points for each equation is sufficient to compute the ten smallest values ρ\rho to at least 8 accurate digits. All values, when rounded, agree to the values in [31, Tabs. 1 and 2], which are given with 4 or 5 digits. The same problem is solved in [7] with the shooting method and in [22] with the two-dimensional bisection method, they both report the corresponding values μ\mu. In Table 1 we give values for some corner angles χ\chi for comparison. The remaining values can be computed using the function demo_lame in toolbox MultiParEig. Let us note that the computation of all values ρ\rho and μ\mu (for 31 different values of χ\chi ) takes just 0.6 seconds.

Table 1: Table 1: Solutions of charge-singularity problem (22)-(23), computed by the ChC on 60 points and Algorithm 2 (second and fourth column), compared with the values obtained in [31] (third column), [7] (fifth column), and [22] (sixth column).
χ/π\chi/\pi ρ=(1+1+4μ)/2\rho=(-1+\sqrt{1+4\mu})/2 μ\mu
ChC and Alg. 2 Morrison and Lewis [31] ChC and Alg. 2 Bailey [7] Ji [22]
0.04021 0.12003200 0.12003 0.13443968 0.1344183 0.1344238
0.11610 0.16041747 0.16042 0.18615124 - -
0.28858 0.22487941 0.22488 0.27545016 0.2754502 0.2753945
0.950 0.47560917 0.47561 0.70181325 - 0.7025342
1.125 0.64219762 0.6422 0.88771014 0.8877101 0.8876282
1.500 0.81465525 0.8146 1.47831844 - -
1.875 0.98991459 0.98991 1.96984549 - 1.971277
1.950 0.99844224 0.99844 1.99532914 - 1.995327

To explore the convergence, we compute the first 700 eigenvalue parameters μ=ρ(ρ+1)\mu=\rho(\rho+1) of Lamé’s system (22)-(23) by the ChC discretization using N=30,40,,110N=30,40,\ldots,110 points and Algorithm 2 . For the "exact" values we take the solutions obtained for N=150N=150. The errors for two corner angles ( χ=0.04021π\chi=0.04021\pi for the left figure and χ=12π\chi=\frac{1}{2}\pi for the right figure) are visualized in Figure 1 and clearly show the convergence of the ChC . Each rectangle corresponds to a group of 20 consecutive values μ\mu on the yy-axis and one choice of NN from the xx-axis. The color of the rectangle depicts the maximum relative error of the eigenvalues in the group. In both cases, as we enlarge NN, more and more eigenvalues are computed accurately and their number seems to grow at least linearly with NN. One can see that more collocation points are required to compute low eigenfrequencies accurately for a sharper corner angle in the left figure. Algorithm 2 requires 91 seconds to compute the first 700 eigenmodes for N=110N=110.

Example 2. We consider a 2EP from [28], which appears when the separation of variables is applied to the Helmholtz equation in parabolic rotational coordinates for a closed region bounded by two paraboloids ξ=ξ0\xi=\xi_{0} and η=η0\eta=\eta_{0} (see Subsection 2.3), which has the volume

V=π4ξ02η02(ξ02+η02).V=\frac{\pi}{4}\xi_{0}^{2}\eta_{0}^{2}\left(\xi_{0}^{2}+\eta_{0}^{2}\right).

The corresponding 2EP consists of the Bessel wave equations

ξ2M′′(ξ)+ξM(ξ)+(k2ξ2+ω2ξ4p2)M(ξ)=0\displaystyle\xi^{2}M^{\prime\prime}(\xi)+\xi M^{\prime}(\xi)+\left(k_{2}\xi^{2}+\omega^{2}\xi^{4}-p^{2}\right)M(\xi)=0 (24)
η2N′′(η)+ηN(η)(k2η2ω2η4+p2)N(η)=0\displaystyle\eta^{2}N^{\prime\prime}(\eta)+\eta N^{\prime}(\eta)-\left(k_{2}\eta^{2}-\omega^{2}\eta^{4}+p^{2}\right)N(\eta)=0 (25)

and appropriate boundary conditions, where we can consider only nonnegative integer values of pp. In the case p=0p=0, which is treated separately, we divide (24) and (25) by ξ\xi and η\eta, respectively, to obtain

ξM′′(ξ)+M(ξ)+(k2ξ+ω2ξ3)M(ξ)=0,\displaystyle\xi M^{\prime\prime}(\xi)+M^{\prime}(\xi)+\left(k_{2}\xi+\omega^{2}\xi^{3}\right)M(\xi)=0, (26)
ηN′′(η)+N(η)(k2ηω2η3)N(η)=0.\displaystyle\eta N^{\prime\prime}(\eta)+N^{\prime}(\eta)-\left(k_{2}\eta-\omega^{2}\eta^{3}\right)N(\eta)=0. (27)

The solutions of the Helmholtz equation should be bounded in the physical domain. The equations (24)-(25) for p1p\geq 1 and (26)-(27) for p=0p=0 have regular singularities at ξ=0\xi=0 and η=0\eta=0. The boundedness conditions at these singular points are behavioral and are automatically satisfied in the ChC, where we take the set of Chebyshev polynomials as basis functions in the expansion (12). Actually, this expansion provides an analytic approximation. It follows from (24)-(25) and (26)-(27) that bounded solutions satisfy M(0)=N(0)=0M(0)=N(0)=0 for p1p\geq 1 and M(0)=N(0)=0M^{\prime}(0)=N^{\prime}(0)=0 for p=0p=0, respectively. Equations with the above boundary conditions appear in the ChC as the equations at the collocation points ξ=0\xi=0 and η=0\eta=0. Three possible combinations of outer boundary conditions are considered: Dirichlet (M(ξ0)=N(η0)=0)\left(M\left(\xi_{0}\right)=N\left(\eta_{0}\right)=0\right), Neumann (M(ξ0)=N(η0)=0)\left(M^{\prime}\left(\xi_{0}\right)=N^{\prime}\left(\eta_{0}\right)=0\right), and mixed (M(ξ0)=0=N(η0)=0)\left(M\left(\xi_{0}\right)=0=N^{\prime}\left(\eta_{0}\right)=0\right).

Similar to the previous example, we set λ=k2,μ=ω2\lambda=k_{2},\mu=\omega^{2} and discretize the system using the ChC on 60 points. For each p=0,,8p=0,\ldots,8 we compute 8 eigenvalues with the smallest ω\omega and then gather the results. In Table 2 we give the first ten eigenvalues with the smallest ω\omega for the Dirichlet case, while in Figure 2 we plot the first nine eigenmodes in the xyxy-plane for the Dirichlet case. More eigenvalues can be computed using function demo_besselwave1 in MultiParEig, which also gives the eigenvalues for the Neumann and the mixed case.

Based on numerical experiments with higher number of collocation nodes, which show a similar convergence as in Figure 1, 60 points should be enough for the results in Table 2 to have at least 8 accurate digits. Some of the solutions can be computed analytically. If γ\gamma is a positive zero of the Bessel function of the first kind Jp/2(x)J_{p/2}(x), then (λ,ω)=(0,2γ)(\lambda,\omega)=(0,2\gamma) is an eigenvalue of (24)-(25). The corresponding eigenfunctions that satisfy the boundary conditions are M(ξ)=Jp/2(γξ2)M(\xi)=J_{p/2}\left(\gamma\xi^{2}\right) and N(η)=Jp/2(γη2)N(\eta)=J_{p/2}\left(\gamma\eta^{2}\right). These values agree perfectly with the eigenfrequencies in Table 2 where λ=0\lambda=0. We also verified the numerical results by solving numerically each of the equations (24) and (25) as a one-parameter eigenvalue problem with a fixed value of either k2k_{2} or ω\omega by a shooting method in Mathematica. Based on these results we believe that the values obtained by discretizing the problem with the ChC as a 2EP are more accurate than the results obtained by the Frobenius power series expansion method in [28].

In Figure 3 we give the energy EE of an electron in a quantum dot, computed as

E=2ω22mH,E=\frac{\hbar^{2}\omega^{2}}{2m^{H}},
Table 2: Table 2: Extended Table 1 from [28] with solutions for Dirichlet outer boundary conditions and ξ02=η02=1\xi_{0}^{2}=\eta_{0}^{2}=1, recomputed as solutions of the 2EP obtained by discretizing Bessel wave equations (24)-(25) by the ChC using 60 points (second column), compared with the values obtained in [28] by the Frobenius method (third column).
pp ChC and Algorithm 2 Lew Yan Voon and Willatzen [28]
λ\lambda ω\omega λ\lambda ω\omega
0 0.00000000 4.80965112 0 4.809
1 0.00000000 6.28318531 0 6.286
2 0.00000000 7.66341194 0 7.665
0 13.46679582 7.87276640 13.468 7.875
3 0.00000000 8.98681892 0 8.974
1 21.73191565 9.35647141 - -
4 0.00000000 10.27124460 - -
2 29.69012955 10.77286063 - -
0 39.97421371 10.89209896 - -
0 0.00000000 11.04015622 - -

where mH=0.067m0m^{H}=0.067m_{0} is the effective mass of an electron in GaAs and \hbar is Planck’s constant, as a function of ξ02\xi_{0}^{2} for a serious of quantum dots having the same volume (see [28] for details). The graph is much smoother than [28, Fig. 5], which represents the same results. The figure is based on numerical computation of energy for 100 equidistant values of ξ02\xi_{0}^{2}, where we use the ChC discretization on 60 points to compute the energy for each ξ02\xi_{0}^{2}. The computation of the figure takes 2.3 seconds. The minimal energy 245.1379 meV is obtained at ξ02=19.0534Å\xi_{0}^{2}=19.0534\mathring{\mathrm{A}} and ξ02=180.4595Å\xi_{0}^{2}=180.4595\mathring{\mathrm{A}}.

Example 3. When separation of variables is applied to the three-dimensional Helmholtz equation 2u+ω2u=0\nabla^{2}u+\omega^{2}u=0 in parabolic cylinder coordinates

x=12(μ2v2)\displaystyle x=\frac{1}{2}\left(\mu^{2}-v^{2}\right)
y=μv\displaystyle y=\mu v
z=z\displaystyle z=z

where 0μ<0\leq\mu<\infty and <v,z<-\infty<v,z<\infty, then the system of ordinary differential equations

M′′(μ)(α+βμ2)M(μ)\displaystyle M^{\prime\prime}(\mu)-\left(\alpha+\beta\mu^{2}\right)M(\mu) =0\displaystyle=0 (28)
N′′(v)+(αβv2)N(v)\displaystyle N^{\prime\prime}(v)+\left(\alpha-\beta v^{2}\right)N(v) =0\displaystyle=0 (29)
Z′′(z)+(ω2+β)Z(z)\displaystyle Z^{\prime\prime}(z)+\left(\omega^{2}+\beta\right)Z(z) =0\displaystyle=0 (30)

is obtained, where α\alpha and β\beta are separation parameters. Pair (28)-(29) with the corresponding boundary conditions is a 2EP in the form of the Weber equations. For each solution of (28)-(29) we can insert β\beta in (30) and solve it to obtain the solution u=M(μ)N(η)Z(z)u=M(\mu)N(\eta)Z(z). For details see, e.g., [32, Sect. 12], [44], or [46, Sect. 10].

In this numerical example, which is based on [44], we compute eigenmodes and eigenfrequencies of an acoustic enclosure defined by two confocal parabolic cylinders |v|=v0|v|=v_{0} and μ=μ0\mu=\mu_{0}, and two plane surfaces z=z1z=z_{1} and z=z2z=z_{2}, subject to rigid-wall boundary conditions. When we take z2=z1=L/2z_{2}=-z_{1}=L/2, then solutions of (30) either have the form

Z(z)=cos((ω2β)1/2z)Z(z)=\cos\left(\left(\omega^{2}-\beta\right)^{1/2}z\right)

where ω2=(2p)2(π/L)2β\omega^{2}=(2p)^{2}(\pi/L)^{2}-\beta for p=0,1,2,p=0,1,2,\ldots; or

Z(z)=sin((ω2β)1/2z),Z(z)=\sin\left(\left(\omega^{2}-\beta\right)^{1/2}z\right),

where ω2=β\omega^{2}=-\beta or ω2=(2p+1)2(π/L)2β\omega^{2}=(2p+1)^{2}(\pi/L)^{2}-\beta for p=0,1,2,p=0,1,2,\ldots. All eigenvalues ( α,β\alpha,\beta ) of the 2EP (28)-(29) have β<0\beta<0, therefore, when we want to compute the first eigenmodes, we have to find the solutions with the largest values of β\beta. The solutions of the Helmholtz equation should be either odd or even in relation to the Cartesian axes zz, hence the boundary conditions at 0 are either M(0)=N(0)=0M(0)=N(0)=0 or M(0)=N(0)=0M^{\prime}(0)=N^{\prime}(0)=0. It suffices to consider 0<v<v00<v<v_{0}. The physical fluid rigid-wall interaction conditions imply the following boundary conditions M(μ0)=N(v0)=0M^{\prime}\left(\mu_{0}\right)=N^{\prime}\left(v_{0}\right)=0 at μ0\mu_{0} and v0v_{0}.

In Table 3 we give the six eigenvalues ( α,β\alpha,\beta ) with the largest values of β\beta for the odd and for the even case, more eigenvalues can be computed by function demo_weber in MultiParEig. The values in [44], obtained by the Frobenius method, are (0,4.4817)(0,-4.4817) for the odd and (±6.037,13.47)(\pm 6.037,-13.47) for the even case. Again, the values obtained by the ChC discretization are more accurate, which was verified numerically in Mathematica similarly as in the previous example. Some of the solutions are degenerate, i.e., they appear in pairs (α,β)(\alpha,\beta) and (α,β)(-\alpha,\beta).

In Figure 4 we plot the first nine nontrivial eigenmodes. As the solutions of degenerate pairs are symmetric, we give only one eigenmode for each such pair.

Example 4. In [33], the energy eigenfunctions of hydrogen molecular ion H2+\mathrm{H}_{2}^{+}in two dimensions in terms of confocal elliptic coordinates are considered. Separation of variables, applied to the Schrödinger equation for H2+\mathrm{H}_{2}^{+}in two dimensions, leads to the system of differential equations

(u21)F′′(u)+uF(u)+2RuF(u)+12R2E(u21)F(u)SF(u)\displaystyle\left(u^{2}-1\right)F^{\prime\prime}(u)+uF^{\prime}(u)+2RuF(u)+\frac{1}{2}R^{2}E\left(u^{2}-1\right)F(u)-SF(u) =0\displaystyle=0
(1v2)G′′(v)vG(v)+12R2E(1v2)G(v)+SG(v)\displaystyle\left(1-v^{2}\right)G^{\prime\prime}(v)-vG^{\prime}(v)+\frac{1}{2}R^{2}E\left(1-v^{2}\right)G(v)+SG(v) =0\displaystyle=0

where R>0R>0 is a given internuclear separation, EE is the electronic energy, SS is the separation constant, 1<u<1<u<\infty, and 1<v<1-1<v<1. By taking F(u)=(u21)k/2f(u)F(u)=\left(u^{2}-1\right)^{k/2}f(u) and G(v)=(1v2)k/2g(v)G(v)=\left(1-v^{2}\right)^{k/2}g(v), where k=0k=0 or k=1k=1, we separate out the singularities at u2=1u^{2}=1 and v2=1v^{2}=1, and obtain a new system of differential equations

(u21)f′′(u)+(2k+1)uf(u)+(k+2Ru+12R2E(u21)S)f(u)\displaystyle\left(u^{2}-1\right)f^{\prime\prime}(u)+(2k+1)uf^{\prime}(u)+\left(k+2Ru+\frac{1}{2}R^{2}E\left(u^{2}-1\right)-S\right)f(u) =0\displaystyle=0 (31)
(v21)g′′(v)+(2k+1)vg(v)+(k+12R2E(v21)S)g(v)\displaystyle\left(v^{2}-1\right)g^{\prime\prime}(v)+(2k+1)vg^{\prime}(v)+\left(k+\frac{1}{2}R^{2}E\left(v^{2}-1\right)-S\right)g(v) =0\displaystyle=0 (32)

If for a pair (S,E)(S,E) there exist bounded nontrivial functions f(u)f(u) and g(v)g(v) that satisfy (31) and (32), then (S,E)(S,E) is an eigenvalue of the corresponding 2EP. We are interested in eigenvalues that have the smallest values of EE and the matching eigenfunctions. We discretize the angular equation (32) by the ChC and apply the LC (shifted from [ 0,0,\infty ) to [ 1,1,\infty )) to the radial equation (31). The boundedness of the solution f(u)f(u) to the radial equation (31) provides the boundary condition

limuf(u)=0\lim_{u\rightarrow\infty}f(u)=0 (33)

which is automatically satisfied in the LC discretization, where we take the set of Laguerre polynomials multiplied by the weight function w(x)=e12bxw(x)=e^{-\frac{1}{2}bx} as basis functions in the expansion (12), and the boundary condition

(2k+1)f(1)=(k+2RS)f(1)(2k+1)f^{\prime}(1)=-(k+2R-S)f(1)

Similarly, it follows from the boundedness of the solution g(v)g(v) to the angular equation (32) that the solution satisfies the boundary conditions

(2k+1)g(1)+(kS)g(1)=0 and (2k+1)g(1)+(kS)g(1)=0.(2k+1)g^{\prime}(1)+(k-S)g(1)=0\quad\text{ and }\quad-(2k+1)g^{\prime}(-1)+(k-S)g(-1)=0.

We are looking for the eigenvalues ( S,ES,E ), with the smallest value of EE, of the 2EP consisting of differential equations (31), (32) along with the boundedness conditions at the singular points and the boundary condition (33).

Numerical experiments show that if the scaling parameter bb in the LC is carefully chosen and 60 collocation points are used for each equation, then the first four energy states for 0.1R60.1\leq R\leq 6 are computed to at least 8 accurate digits. For fast convergence it is best to choose the scaling parameter bb so that there are just few points on the interval where ff is already very close to zero. Based on numerical experiments, we take b=1b=1 for 0.1R20.1\leq R\leq 2 and b=2b=2 for 2<R62<R\leq 6. By doing so we can compute the values that are given in [33, Table I and II] more accurately. In Table 4 and Table 5 we give some of the obtained values for comparison. The remaining values can be computed using function demo_hydrogen in MultiParEig. We remark that our method computes as well some solutions, that are not given in [33], for instance state 2pu+2p_{u}^{+}for R=0.51R=0.51 and R=0.515R=0.515, and state 2sg+2s_{g}^{+}for R=4.5R=4.5.

Example 5. In the final numerical example we show that the ChC and multiparameter approach can be applied to 3EPs as well. As an example we consider the ellipsoidal wave equation from [45], where few first eigenmodes are computed with a technique from [4]. Although the ellipsoidal wave equation is

Table 3: Table 4: Some of the values in [33, Table I], computed as solutions of a 2EP obtained by discretizing (31) by the ChC and (32) by the LC using 60 collocation points. We give separation constant SS and electronic energy Eele E_{\text{ele }} for the states 1sg+1s_{g}^{+}and 2pu+2p_{u}^{+}for some values of the internuclear separation RR.
RR ChC, LC, and Algorithm 2 Patil [33]
1sg+1s_{g}^{+} 2pu+2p_{u}^{+} 1sg+1s_{g}^{+} 2pu+2p_{u}^{+}
SS EeleE_{\text{ele }} SS EeleE_{\text{ele }} SS EeleE_{\text{ele }} SS EeleE_{\text{ele }}
0.100 0.018189 -7.292184 1.001124 -0.899094 0.0182 -7.2907 1.0011 -0.89912
0.200 0.064128 -6.465032 1.004661 -0.932840 0.06413 -6.4644 1.0046 -0.93288
0.300 0.128169 -5.790661 1.011210 -0.997805 0.12817 -5.7903 1.0112 -0.99782
0.500 0.290025 -4.821577 1.038783 -1.247118 0.2900 -4.8213 1.0388 -1.2471
0.510 0.298960 -4.783079 1.040867 -1.263403 - - - -
0.515 0.303451 -4.764118 1.041938 -1.271642 - - - -
0.800 0.579956 -3.930420 1.138223 -1.758159 0.5800 -3.9303 1.1382 -1.7581
1.000 0.789826 -3.543667 1.244195 -2.015024 0.7898 -3.5436 1.2442 -2.0150
1.500 1.337146 -2.948555 1.601105 -2.310163 1.3371 -2.9485 1.6011 -2.3101
4.000 3.972288 -2.255505 3.979869 -2.248279 3.9723 -2.2555 3.9799 -2.2483
5.000 4.980298 -2.201467 4.981731 -2.200367 4.9803 -2.2015 4.9817 -2.20037
Table 4: Table 5: Some of the values in [33, Table II], computed as solutions of a 2EP obtained by discretizing (31) by the ChC and (32) by the LC using 60 collocation points. We give separation constant SS and electronic energy Eele E_{\text{ele }} for the states 2sg+2s_{g}^{+}and 2pu2p_{u}^{-}for some values of the internuclear separation RR.
RR ChC, LC, and Algorithm 2 Patil [33]
2sg+2s_{g}^{+} 2pu2p_{u}^{-} 2sg+2s_{g}^{+} 2pu2p_{u}^{-}
S EeleE_{\text{ele }} SS EeleE_{\text{ele }} SS EeleE_{\text{ele }} SS EeleE_{\text{ele }}
0.100 0.002149 -0.859671 1.003326 -0.886960 0.00215 -0.85965 1.0033 -0.88692
0.200 0.008198 -0.820676 1.013221 -0.881535 0.0082 -0.8207 1.0132 -0.88150
0.300 0.017614 -0.784572 1.029462 -0.873304 0.01765 -0.7846 1.0295 -0.87327
0.500 0.044999 -0.724076 1.079702 -0.851102 0.0450 -0.7241 1.0797 -0.85108
1.000 0.152031 -0.620134 1.292297 -0.782689 0.1521 -0.6201 1.2924 -0.7826
1.500 0.298946 -0.552898 1.598730 -0.715761 0.2989 -0.5529 1.5987 -0.71575
4.500 1.508425 -0.382792 4.375701 -0.471532 - - - -

considered to be a very difficult computational problem, the multiparameter approach based on the ChC is quite easy to apply and gives accurate results.

We are interested in the smallest eigenfrequencies of a tri-axial ellipsoid with center ( 0,0,00,0,0 ) and semi-axes z0>y0>x0z_{0}>y_{0}>x_{0}. In ellipsoidal coordinates (see, e.g., [4], [46, Sect. 16]), the solution of the Helmholtz equation 2u+ω2u=0\nabla^{2}u+\omega^{2}u=0 is u=X1(ξ1)X2(ξ2)X3(ξ3)u=X_{1}\left(\xi_{1}\right)X_{2}\left(\xi_{2}\right)X_{3}\left(\xi_{3}\right), where z0>ξ1>a>ξ2>b>ξ3>0z_{0}>\xi_{1}>a>\xi_{2}>b>\xi_{3}>0 for a=(z02x02)1/2a=\left(z_{0}^{2}-x_{0}^{2}\right)^{1/2} and b=(z02y02)1/2b=\left(z_{0}^{2}-y_{0}^{2}\right)^{1/2}. After the substitution ti=ξ2/b2t_{i}=\xi^{2}/b^{2} we obtain a system of second order differential equations such that all three equations for i=1,2,3i=1,2,3 have the same form

ti(ti1)(tic)Xi′′(ti)+12(3ti22(1+c)ti+c)Xi(ti)+(λ+μti+ηti2)Xi(ti)=0,t_{i}\left(t_{i}-1\right)\left(t_{i}-c\right)X_{i}^{\prime\prime}\left(t_{i}\right)+\frac{1}{2}\left(3t_{i}^{2}-2(1+c)t_{i}+c\right)X_{i}^{\prime}\left(t_{i}\right)+\left(\lambda+\mu t_{i}+\eta t_{i}^{2}\right)X_{i}\left(t_{i}\right)=0, (34)

where c=a2/b2,ω2=4η/b2c=a^{2}/b^{2},\omega^{2}=4\eta/b^{2}, and λ,μ\lambda,\mu are separation constants. The equation (34) has removable singularities at ti=0,ti=1t_{i}=0,t_{i}=1, and ti=ct_{i}=c. It is possible to write the solution of (34) in the general form

Xi(ti)=tiρ/2(ti1)σ/2(tic)τ/2Fi(ti),X_{i}\left(t_{i}\right)=t_{i}^{\rho/2}\left(t_{i}-1\right)^{\sigma/2}\left(t_{i}-c\right)^{\tau/2}F_{i}\left(t_{i}\right), (35)

where ρ,σ\rho,\sigma, and τ\tau are either 0 or 1 (see, e.g., [4]). This gives eight possible combinations. By inserting (35) into (34) we get the final system of differential equations, where all three equations for i=1,2,3i=1,2,3
have the form

ti(ti1)(tic)Fi′′(ti)+12(A2ti22A1ti+A0)Fi(ti)+(λλ0+(μ+μ0)ti+ηti2)Fi(ti)=0t_{i}\left(t_{i}-1\right)\left(t_{i}-c\right)F_{i}^{\prime\prime}\left(t_{i}\right)+\frac{1}{2}\left(A_{2}t_{i}^{2}-2A_{1}t_{i}+A_{0}\right)F_{i}^{\prime}\left(t_{i}\right)+\left(\lambda-\lambda_{0}+\left(\mu+\mu_{0}\right)t_{i}+\eta t_{i}^{2}\right)F_{i}\left(t_{i}\right)=0 (36)

where λ0=((ρ+τ)2+(ρ+σ)2c)/4,μ0=(ρ+σ+τ)(ρ+σ+τ+1)/4,A0=(2ρ+1)c,A1=(1+ρ)/1+c)+τ+σc\lambda_{0}=\left((\rho+\tau)^{2}+(\rho+\sigma)^{2}c\right)/4,\mu_{0}=(\rho+\sigma+\tau)(\rho+\sigma+\tau+1)/4,A_{0}=(2\rho+1)c,A_{1}=(1+\rho)/1+c)+\tau+\sigma c, and A2=2(ρ+σ+τ)+3A_{2}=2(\rho+\sigma+\tau)+3. We are looking for the particular solutions characterized by boundary conditions or finiteness properties [4]. When we insert ti=0,ti=1t_{i}=0,t_{i}=1, and ti=ct_{i}=c in (36), we see that the boundedness conditions at singular points lead to the following boundary conditions that involve eigenvalue parameters:

A0F3(0)+2(λλ0)F3(0)\displaystyle A_{0}F_{3}^{\prime}(0)+2\left(\lambda-\lambda_{0}\right)F_{3}(0) =0\displaystyle=0
(A22A1+A0)Fk(1)+2(λλ0+μ+μ0+η)Fk(1)\displaystyle\left(A_{2}-2A_{1}+A_{0}\right)F_{k}^{\prime}(1)+2\left(\lambda-\lambda_{0}+\mu+\mu_{0}+\eta\right)F_{k}(1) =0 for k=2,3\displaystyle=0\quad\text{ for }\quad k=2,3
(A2c2A1c+A0)Fk(c)+2(λλ0+(μ+μ0)c+ηc2)Fk(c)\displaystyle\left(A_{2}c^{2}-A_{1}c+A_{0}\right)F_{k}^{\prime}(c)+2\left(\lambda-\lambda_{0}+\left(\mu+\mu_{0}\right)c+\eta c^{2}\right)F_{k}(c) =0 for k=1,2.\displaystyle=0\quad\text{ for }\quad k=1,2.

The boundedness conditions at singular points ti=0,ti=1t_{i}=0,t_{i}=1, and ti=ct_{i}=c are behavioral and the above conditions automatically appear as equations when the ChC is applied. Finally, in order to obtain a 3EP we impose the Dirichlet condition on the boundary of the ellipsoid, which gives the boundary condition

F1(z02/b2)=0F_{1}\left(z_{0}^{2}/b^{2}\right)=0 (37)

Thus we solve the 3EP which consists of the differential equations (36) together with the boundedness conditions at the singular points and the boundary condition (37).

For each of the eight possible combinations of ( ρ,σ,τ\rho,\sigma,\tau ) we applied the ChC on n=20n=20 nodes on each of the three equations (36) to obtain an algebraic 3EP, and then computed the five eigenvalues ( λ,μ,η\lambda,\mu,\eta ) with the smallest |γ||\gamma| using implicitly restarted Arnoldi on Δ3w=ηΔ0w\Delta_{3}w=\eta\Delta_{0}w. As the Δ\Delta-matrices are of size n3×n3n^{3}\times n^{3} and we are not aware of a method that can compute the product Δ31Δ0w\Delta_{3}^{-1}\Delta_{0}w efficiently such as the Sylvester approach for 2EPs, we cannot afford so many collocation nodes as for 2EPs. If a computation with higher number of nodes is required, then a three-parameter generalization of the Jacobi-Davidson method could be applied.

From the results for all combinations of ( ρ,σ,τ\rho,\sigma,\tau ) we can gather the first 15 eigenmodes in Table 6. Based on the results obtained with 10, 15, and 25 collocation points, we strongly believe that the 15 smallest eigenfrequencies are computed to at least eight accurate decimals. The results agree with the first six eigenmodes that are given in [45] with four decimals. We give the plots of the corresponding wave functions in Figure 5. Smallest eigenfrequencies of an ellipsoid with different semi-axes for a given choice of (σ,ρ,τ)(\sigma,\rho,\tau) can be computed with function ellipsoid_eigs in MultiParEig.

8. Conclusions

We have presented a combination of spectral collocation and fast numerical methods for algebraic 2EPs. Teaming up, they can efficiently and accurately solve many 2EPs that arise when separation of variables is applied to boundary value problems, a similar idea can be applied to 3EPs. In numerical examples we show that the approach is superior to those reported in the literature; one can efficiently compute several hundreds of eigenfrequencies and the corresponding eigenmodes. Our numerical results are stable in the sense that the outcomes remain very close when we enlarge the number of collocation points NN or change the scaling parameter bb inside some specified ranges.

MATLAB toolbox MultiParEig with the implementations of the presented numerical methods and numerical examples provides a simple way to apply the approach on similar 2EPs and 3EPs.

It remains a challenge for the future to derive efficient methods of a Sylvester-Arnoldi type for MEPs with three or more parameters.

Table 5: Table 6: First 15 eigenfrequencies for the Helmholtz equation on tri-axial ellipsoid with semi-axes x0=1,y0=1.5x_{0}=1,y_{0}=1.5, and z0=2z_{0}=2. For each frequency ω\omega we give the corresponding eigenvalue (λ,μ,η)(\lambda,\mu,\eta) of 3EP(36) and the combination of parameters ρ,σ,τ\rho,\sigma,\tau.
ω\omega λ\lambda μ\mu η\eta ρ\rho σ\sigma τ\tau
2.34458979 0.84989209 -3.75231782 2.40498182 0 0 0
2.94367435 3.60037607 -7.76944731 3.79103317 1 0 0
3.20795093 1.48438625 -7.85091477 4.50229027 0 1 0
3.57728277 7.22643744 -13.03122756 5.59866649 0 0 0
3.78641651 5.48731495 -13.25884129 6.27241562 1 1 0
3.82663626 1.51189406 -8.87177115 6.40637596 0 0 1
4.13064732 2.05458475 -13.46994828 7.46473320 0 0 0
4.23215871 11.78829702 -19.58689645 7.83613571 1 0 0
4.38693776 5.55331827 -14.80242372 8.41978504 1 0 1
4.38859178 10.42065341 -19.87490930 8.42613530 0 1 0
4.61577934 2.12453633 -14.64930491 9.32112078 0 1 1
4.70777812 7.16950299 -20.33054607 9.69638899 1 0 0
4.89789931 17.34182024 -27.45418645 10.49537020 0 0 0
4.97229441 10.39362762 -21.87997310 10.81662385 0 0 1
5.00681461 16.33511125 -27.73496852 10.96733426 1 1 0

Acknowledgements

We thank Guido Janssen (TU Eindhoven) for useful pointers, Joost Rommes (Mentor Graphics) for fruitful comments on the manuscript, and Miran Černe (University of Ljubljana) for helpful discussions. The research was performed in part while the first author was visiting the CASA group at the TU Eindhoven. The author wishes to thank NWO for the visitor’s grant and the CASA group for its hospitality.

The authors are grateful to the referees for their careful reading and suggestions for improvement.
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Appendix A. MATLAB package

The methods and examples presented in this paper are part of the package MultiParEig, which is freely available on MATLAB Central File Exchange [35]. It requires package DMSUITE [42], which has to be installed. For a better performance we suggest to install package LAPACK [39] as well.

We give a short overview of functions in the package that are related to the paper, for details see the built-in help and the attached examples.

  • [[ lambda, mu,X1,X2]=\mathrm{mu},\mathrm{X}1,\mathrm{X}2]= twopareig (A1,B1,C1,A2,B2,C2)(\mathrm{A}1,\mathrm{~B}1,\mathrm{C}1,\mathrm{~A}2,\mathrm{~B}2,\mathrm{C}2) solves a 2EP using Algorithm 1. For a 3EP, use [lambda,mu,eta, X1,X2,X3\mathrm{X}1,\mathrm{X}2,\mathrm{X}3 ] == threepareig( A1,B1,C1,D1,,A3,B3,C3,D3\mathrm{A}1,\mathrm{~B}1,\mathrm{C}1,\mathrm{D}1,\ldots,\mathrm{~A}3,\mathrm{~B}3,\mathrm{C}3,\mathrm{D}3 ), which uses a generalization of Algorithm 1.

  • [[ lambda, mu,X1,X2]=\mathrm{mu},\mathrm{X}1,\mathrm{X}2]= twopareigs (A1,B1,C1,A2,B2,C2,k)(\mathrm{A}1,\mathrm{~B}1,\mathrm{C}1,\mathrm{~A}2,\mathrm{~B}2,\mathrm{C}2,\mathrm{k}) returns kk eigenvalues of a 2 EP with the smallest |μ||\mu| using the implicitly restarted Arnoldi variant of Algorithm 2. The Krylov-Schur variant is implemented in twopareigs_ks, which has the same syntax. See also threepareigs, which computes kk eigenvalues of a 3EP with the smallest |η||\eta|.

  • [z,A,B,C,G,k,r]=bde2mep(a,b,p,q,r,s,t,bc,N)[z,A,B,C,G,k,r]=bde2mep(a,b,p,q,r,s,t,bc,N) discretizes boundary value equation (13) with the ChC using N points. Functions p,q,r,s\mathrm{p},\mathrm{q},\mathrm{r},\mathrm{s}, and t should be either scalar MATLAB functions or constants. Boundary conditions αy(a)+βy(a)=0\alpha y(a)+\beta y^{\prime}(a)=0 and γy(b)+δy(b)=0\gamma y(b)+\delta y^{\prime}(b)=0 are given in matrix bc=[a\mathrm{bc}=[\mathrm{a} pha beta; gamma delta]. The function returns matrices A, B, C of size (N2)×(N2)(N-2)\times(N-2), vector of collocation nodes zz, give-back matrix GG, and sets of kept indices kk and removed indices rr. From G,k\mathrm{G},\mathrm{k}, and r the solution in all collocation nodes can be reconstructed by function recover_bc. See also bde3mep with a similar syntax for 3EPs.

  • [omega, G,F,eta,xi] = ellipse_eigs(mode,alpha,beta,m,n) returns the first m even (mode=1) or odd (mode =2=2 ) eigenfrequencies and eigenmodes of an elliptical membrane with major and minor axis alpha and beta, where Mathieu’s system (1) is discretized by the ChC with n=[n1n2]n=[n1n2] points for the first and the second equation. See ellipsoid_eigs for the first mm eigenfrequencies and eigenmodes of an ellipsoid with semi-axes x0<y0<z0x_{0}<y_{0}<z_{0}.

From the following examples one can learn how to solve a given 2EP or 3EP (to run the examples, MultiParEig should be in the MATLAB path):

  • demo_besselwave1 solves the Bessel wave equations (24)-(25) and computes the values in Table 2. See also demo_besselwave_figs, which plots Figure 2, demo_besselwave2, which plots Figure 3 ([28, Fig. 5]), and demo_besselwave3, which reconstructs [28, Figs. 6a, 6b, and 6c].

  • demo_ellipsoidwave computes eigenmodes for the ellipsoid wave equation (34) in Table 6. See also demo_ellipsoidwave_figs that plots the wave functions in Figure 5.

  • demo_hydrogen computes states of hydrogen molecular ion in 2D from the 2EP (31)-(32) and gives the values in Tables 4 and 5.

  • demo_lame gives the eigenvalues for Lame’s system (22)-(23) in Table 1. See also demo_lame_conv, which plots Figure 1.

  • demo_mathieu solves Mathieu’s system (1), gives the first 300 even eigenfrequencies for an elliptical membrane with axis α=2\alpha=2 and β=1\beta=1, and plots eigenmodes no. 298 and 300 ([16, Figs. 5 and 6]).

  • demo_weber computes eigenvalues for the Weber equations (28)-(29) in Table 3 and plots the eigenmodes. See also demo_weber_figs, which plots Figure 4.

2015

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