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POTHEA

swMATH ID: 19948
Software Authors: Gusev, A.A.; Chuluunbaatar, O.; Vinitsky, S.I.; Abrashkevich, A.G.
Description: POTHEA: a program for computing eigenvalues and eigenfunctions and their first derivatives with respect to the parameter of the parametric self-adjoined 2D elliptic partial differential equation. A FORTRAN 77 program is presented for calculating with the given accuracy eigenvalues, surface eigenfunctions and their first derivatives with respect to a parameter of the parametric self-adjoined 2D elliptic partial differential equation with the Dirichlet and/or Neumann type boundary conditions on a finite two-dimensional region. The program calculates also potential matrix elements that are integrals of the products of the surface eigenfunctions and/or the first derivatives of the surface eigenfunctions with respect to a parameter. Eigenvalues and matrix elements computed by the POTHEA program can be used for solving the bound state and multi-channel scattering problems for a system of coupled second order ordinary differential equations with the help of the KANTBP program [the second author et al., ibid. 177, No. 8, 649–675 (2007; Zbl 1196.81283)]. Benchmark calculations of eigenvalues and eigenfunctions of the ground and first excited states of a Helium atom in the framework of a coupled-channel hyperspherical adiabatic approach are presented. As a test desk, the program is applied to the calculation of the eigensolutions of a 2D boundary value problem, their first derivatives with respect to a parameter and potential matrix elements used in the benchmark calculations.
Homepage: http://cpc.cs.qub.ac.uk/summaries/AESX_v1_0.html
Keywords: eigenvalue and multichannel scattering problems; Kantorovich method; finite element method; multichannel adiabatic approximation; ordinary differential equations; high-order accuracy approximations
Related Software: KANTBP; Maple; KANTBP 2.0; POTHMF; ODPEVP; ASYMPT
Referenced in: 2 Publications

Referenced in 1 Serial

1 Computer Physics Communications

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