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
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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Paper (preprint) in HTML form
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.
Abstract
Algorithm 2 A Sylvester-Arnoldi method for the nonsingular two-parameter eigenvalue problem (17) with nonsingular . The algorithm returns eigenvalues of 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
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 in elliptic coordinates
where and , leads to , where and satisfy the coupled system of Mathieu’s angular and radial equations (for details, see, e.g., [41])
| (1) |
The parameter is related to the eigenfrequency by , where with (the major axis) and (the minor axis of the membrane), and 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 in sphero-conal coordinates
where , and , it gives , where , and satisfy the system of differential equations
| (2) | ||||
| (3) | ||||
| (4) |
where and 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 in (2) and solve it. For details, see, e.g., [9], [24], or [46, Sect. 15]. When we start with the Laplace equation , we get the same system as the above without the term in (2).
2.3. Bessel wave equations
The solution of the three-dimensional Helmholtz equation in parabolic rotational coordinates
where and , is , where , and satisfy the system of differential equations
| (5) | ||||
| (6) | ||||
| (7) |
where and are separation parameters. A solution of (5) is , where . Whenever a periodicity condition, i.e., , is imposed to the solution of (5), the parameter becomes an integer. When we fix , 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 in ellipsoidal coordinates [32, Sect. 29.18(ii)] is , where , and satisfy the Lamé or ellipsoidal wave equations, which can be expressed in Jacobian form
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 ). 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 in prolate spheroidal coordinates [32, Sect. 30.13(iv)], [46, Sect. 12]) is , where , and satisfy the system of differential equations
| (8) | ||||
| (9) | ||||
| (10) |
where . 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 is imposed to the solution of (10), then parameter becomes an integer.
The system (8)-(9) supplied with boundary conditions, for a fixed 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 differential equations of the form
| (11) | ||||
together with the appropriate boundary conditions, where or . We are interested in a -tuple and nontrivial functions such that equations (11) and the boundary conditions are satisfied. In such case we say that 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 , then generic boundary conditions are
where and for . In some cases boundary conditions can depend on eigenvalue parameters as well.
If the determinant is definite for all , 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 , which means that the corresponding eigenfunction has exactly zeros on for .
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., . 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., , 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 with a finite linear combination of a chosen set of orthogonal function as
| (12) |
The coefficients are chosen so that for , where are distinct collocation nodes. In this sense, is an interpolating function for on the set of collocation nodes. The large positive integer is the order of approximation and is also called the cutoff parameter. To accommodate with physics, 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 [ ] are defined by
for (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
| (13) |
on the interval . The ChC discretization of the above equation is
| (14) |
where and are first and second order differentiation matrices in the Chebyshev nodes of the second kind and is the vector of values in the collocation nodes
for , which are translated from to . The matrices , and are diagonal with diagonal elements , and , respectively
We use the seminal paper [43] to obtain the entries of the differentiation matrices and ; see also [11] for Maple code and [40] for MATLAB code. The matrices and 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]), 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 is
We write the above as
where is the first row of , and replace the first row of (14) with the above equation. We proceed similarly in point .
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 such that and the boundary condition is that the solution should be bounded at . As the Chebyshev polynomials (translated from to ) are analytic at the endpoints, their sum satisfies the boundedness condition at 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 , imposes the boundary condition at obtained from (13) by taking the limit . For more details, see [10, Section 6.3].
In case of the half line [ ) we use the Laguerre collocation (LC) (see, e.g., [15]). The basis functions are products of Laguerre polynomials and the weight function , where is the scaling parameter. The collocation nodes are , where are the roots of the Laguerre polynomial of degree . When we use the LC, the boundary condition at infinity, which has to be , is automatically satisfied. The LC differentiation is exact for functions of the form , where is a polynomial of degree . The scaling parameter has to be carefully chosen according to how fast the solution decays to zero as .
5. Algebraic multiparameter eigenvalue problems
When we discretize the MEP (11) we obtain an algebraic MEP, which has the form
| (15) | ||||
where is an complex matrix for and . A -tuple ( ) is an eigenvalue if it satisfies (15) for nonzero vectors . The corresponding eigenvector is the tensor product . Introducing the so-called operator determinants
for , where the Kronecker product is used instead of multiplication, we obtain matrices of size . If is nonsingular, then the matrices commute and (15) is equivalent (for details, see, e.g., [5]) to a system of generalized eigenvalue problems
| (16) | ||||
for decomposable tensors . This relation enables one to use standard numerical methods for the computation of eigenvalues if the -matrices are not too large. However, when we use spectral methods to discretize (11), then usually even for the -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 and are not symmetric). Namely, the matrices for are all diagonal and if is definite for all , then the corresponding operator determinant is nonsingular.
Example 1. For future reference, we give (15) and the corresponding operator determinants for the case . An algebraic 2EP has the form
| (17) | |||
The eigenvalue is a pair ( ) which satisfies (17) for nonzero vectors and . The corresponding operator determinants of size are
| (18) | |||
If is nonsingular, then and commute and (17) is equivalent to a coupled pair of generalized eigenvalue problems
| (19) | |||
for decomposable tensors . This will be used in all our numerical examples.
6. Numerical methods
If the size of the -matrices in (16) is small enough, say 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 , 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 .
Algorithm 1 An algorithm for the nonsingular two-parameter eigenvalue problem (17).
-
1.
Compute a generalized Schur decomposition and , such that and are unitary, and are upper triangular, and multiple values of are clustered along the diagonal of . As a result, and are partitioned as
where the size of and is and .
2. Compute diagonal blocks of .
3. Compute the eigenvalues of for .
4. The eigenvalues of (17) are .
5. For each eigenvalue compute the eigenvector by inverse iteration on
for .
If 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 , if we are looking for eigenvalues close to a given target , 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 , only one of the eigenvalue parameters and is related to and thus relevant. Without loss of generality we can assume that this parameter is . In a typical situation we are interested in a number of the lowest eigenfrequencies and the corresponding eigenmodes. Usually, the problem can be reformulated in such way that we have to find the eigenvalues with the smallest .
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 terms in the truncated spectral series, the lowest eigenvalues are usually accurate to within a few percent while the larger 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 degrees of freedom. Such numerically spurious eigenvalue can be computed accurately by using sufficiently large . 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 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 typically converge among first.
The sizes and depend on the number of the wanted lowest eigenfrequencies and on the required accuracy. Usually and if is small, we can compute all values from the generalized eigenvalue problem . If 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 . To do this, we must be able to efficiently multiply by , i.e., to solve a system
| (20) |
for a given vector . In principle, the complexity of the above step is as the matrices , and are of size . But, by formulating (20) as a Sylvester equation, we can solve it in . The key to the big reduction is the well-known equality
which enables us to write (20), i.e., , as
where and . We get the Sylvester equation
which can be solved in 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 and are both nonsingular. If this is not the case, then it follows from [29, Lemma 3.1] that there exists such that and are both nonsingular. When we find such , which is not difficult as there are only finitely many inappropriate values, we apply the shift and use Algorithm 2 on the shifted problem
| (21) |
-
1.
Compute Schur decompositions and .
-
2.
Apply implicitly restarted Arnoldi or Krylov-Schur method on , where in each step the product is computed as:
(a) set matrix such that
(b) solve Sylvester equation
(c)
Once we have an eigenpair ( ) of , it is easy to compute the eigenvalue ( ) and the vectors and of (17). The eigenvector is decomposable and if , then has rank one and . Thus, we can extract and from the singular value decomposition of . From and the eigenvalue parameter can be computed from the tensor Rayleigh quotient [34] efficiently as
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 -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 -matrices, but since we use full vectors of size , 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 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 :
where , and . Since the problem is located in the half-space , the range of can be reduced to . For the solution it either holds so that , or and hence . Therefore, it suffices to consider . The relevant boundary conditions for our case are and if or if . The goal is to compute the smallest for . This problem is solved numerically as a 2EP in [29] using finite
differences, where quite large matrices (of size ) are needed for accurate results. Using the ChC discretization more accurate results can be obtained with much smaller matrices.
We set and discretize (22) and (23) using the ChC. In the discretized problem (17), and are full, and are diagonal, and and are identity matrices. Due to the boundary conditions, matrices , and are singular. We fix this by shifting so that we can apply the implicitly restarted Arnoldi version of Algorithm 2. We take the rather arbitrary shift and then numerically solve the shifted problem (21) for . Numerical experiments show that the use of 60 collocation points for each equation is sufficient to compute the ten smallest values 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 . In Table 1 we give values for some corner angles 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 and (for 31 different values of ) takes just 0.6 seconds.
| 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 of Lamé’s system (22)-(23) by the ChC discretization using points and Algorithm 2 . For the "exact" values we take the solutions obtained for . The errors for two corner angles ( for the left figure and 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 on the -axis and one choice of from the -axis. The color of the rectangle depicts the maximum relative error of the eigenvalues in the group. In both cases, as we enlarge , more and more eigenvalues are computed accurately and their number seems to grow at least linearly with . 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 .
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 and (see Subsection 2.3), which has the volume
The corresponding 2EP consists of the Bessel wave equations
| (24) | |||
| (25) |
and appropriate boundary conditions, where we can consider only nonnegative integer values of . In the case , which is treated separately, we divide (24) and (25) by and , respectively, to obtain
| (26) | |||
| (27) |
The solutions of the Helmholtz equation should be bounded in the physical domain. The equations (24)-(25) for and (26)-(27) for have regular singularities at and . 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 for and for , respectively. Equations with the above boundary conditions appear in the ChC as the equations at the collocation points and . Three possible combinations of outer boundary conditions are considered: Dirichlet , Neumann , and mixed .
Similar to the previous example, we set and discretize the system using the ChC on 60 points. For each we compute 8 eigenvalues with the smallest and then gather the results. In Table 2 we give the first ten eigenvalues with the smallest for the Dirichlet case, while in Figure 2 we plot the first nine eigenmodes in the -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 is a positive zero of the Bessel function of the first kind , then is an eigenvalue of (24)-(25). The corresponding eigenfunctions that satisfy the boundary conditions are and . These values agree perfectly with the eigenfrequencies in Table 2 where . 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 or 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 of an electron in a quantum dot, computed as
| ChC and Algorithm 2 | Lew Yan Voon and Willatzen [28] | |||
|---|---|---|---|---|
| 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 is the effective mass of an electron in GaAs and is Planck’s constant, as a function of 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 , where we use the ChC discretization on 60 points to compute the energy for each . The computation of the figure takes 2.3 seconds. The minimal energy 245.1379 meV is obtained at and .
Example 3. When separation of variables is applied to the three-dimensional Helmholtz equation in parabolic cylinder coordinates
where and , then the system of ordinary differential equations
| (28) | ||||
| (29) | ||||
| (30) |
is obtained, where and 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 in (30) and solve it to obtain the solution . 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 and , and two plane surfaces and , subject to rigid-wall boundary conditions. When we take , then solutions of (30) either have the form
where for ; or
where or for . All eigenvalues ( ) of the 2EP (28)-(29) have , therefore, when we want to compute the first eigenmodes, we have to find the solutions with the largest values of . The solutions of the Helmholtz equation should be either odd or even in relation to the Cartesian axes , hence the boundary conditions at 0 are either or . It suffices to consider . The physical fluid rigid-wall interaction conditions imply the following boundary conditions at and .
In Table 3 we give the six eigenvalues ( ) with the largest values of 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 for the odd and 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 and .
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 in two dimensions in terms of confocal elliptic coordinates are considered. Separation of variables, applied to the Schrödinger equation for in two dimensions, leads to the system of differential equations
where is a given internuclear separation, is the electronic energy, is the separation constant, , and . By taking and , where or , we separate out the singularities at and , and obtain a new system of differential equations
| (31) | ||||
| (32) |
If for a pair there exist bounded nontrivial functions and that satisfy (31) and (32), then is an eigenvalue of the corresponding 2EP. We are interested in eigenvalues that have the smallest values of and the matching eigenfunctions. We discretize the angular equation (32) by the ChC and apply the LC (shifted from [ ) to [ )) to the radial equation (31). The boundedness of the solution to the radial equation (31) provides the boundary condition
| (33) |
which is automatically satisfied in the LC discretization, where we take the set of Laguerre polynomials multiplied by the weight function as basis functions in the expansion (12), and the boundary condition
Similarly, it follows from the boundedness of the solution to the angular equation (32) that the solution satisfies the boundary conditions
We are looking for the eigenvalues ( ), with the smallest value of , 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 in the LC is carefully chosen and 60 collocation points are used for each equation, then the first four energy states for are computed to at least 8 accurate digits. For fast convergence it is best to choose the scaling parameter so that there are just few points on the interval where is already very close to zero. Based on numerical experiments, we take for and for . 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 for and , and state for .
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
| ChC, LC, and Algorithm 2 | Patil [33] | |||||||
|---|---|---|---|---|---|---|---|---|
| 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 |
| ChC, LC, and Algorithm 2 | Patil [33] | |||||||
|---|---|---|---|---|---|---|---|---|
| S | ||||||||
| 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 ( ) and semi-axes . In ellipsoidal coordinates (see, e.g., [4], [46, Sect. 16]), the solution of the Helmholtz equation is , where for and . After the substitution we obtain a system of second order differential equations such that all three equations for have the same form
| (34) |
where , and are separation constants. The equation (34) has removable singularities at , and . It is possible to write the solution of (34) in the general form
| (35) |
where , and 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
have the form
| (36) |
where , and . We are looking for the particular solutions characterized by boundary conditions or finiteness properties [4]. When we insert , and in (36), we see that the boundedness conditions at singular points lead to the following boundary conditions that involve eigenvalue parameters:
The boundedness conditions at singular points , and 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
| (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 ( ) we applied the ChC on nodes on each of the three equations (36) to obtain an algebraic 3EP, and then computed the five eigenvalues ( ) with the smallest using implicitly restarted Arnoldi on . As the -matrices are of size and we are not aware of a method that can compute the product 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 ( ) 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 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 or change the scaling parameter 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.
| 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, twopareig solves a 2EP using Algorithm 1. For a 3EP, use [lambda,mu,eta, ] threepareig( ), which uses a generalization of Algorithm 1.
-
•
lambda, twopareigs returns eigenvalues of a 2 EP with the smallest 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 eigenvalues of a 3EP with the smallest .
-
•
discretizes boundary value equation (13) with the ChC using N points. Functions , and t should be either scalar MATLAB functions or constants. Boundary conditions and are given in matrix pha beta; gamma delta]. The function returns matrices A, B, C of size , vector of collocation nodes , give-back matrix , and sets of kept indices and removed indices . From , 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 ) 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 points for the first and the second equation. See ellipsoid_eigs for the first eigenfrequencies and eigenmodes of an ellipsoid with semi-axes .
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):
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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].
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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.
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demo_hydrogen computes states of hydrogen molecular ion in 2D from the 2EP (31)-(32) and gives the values in Tables 4 and 5.
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demo_lame gives the eigenvalues for Lame’s system (22)-(23) in Table 1. See also demo_lame_conv, which plots Figure 1.
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demo_mathieu solves Mathieu’s system (1), gives the first 300 even eigenfrequencies for an elliptical membrane with axis and , and plots eigenmodes no. 298 and 300 ([16, Figs. 5 and 6]).
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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.
