POTHEA
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.
Keywords for this software
References in zbMATH (referenced in 2 articles )
Showing results 1 to 2 of 2.
Sorted by year (- Gusev, A. A.; Gerdt, V. P.; Chuluunbaatar, O.; Chuluunbaatar, G.; Vinitsky, S. I.; Derbov, V. L.; Góźdź, A.: Symbolic-numerical algorithms for solving the parametric self-adjoint 2D elliptic boundary-value problem using high-accuracy finite element method (2017)
- Gusev, A. A.; Chuluunbaatar, O.; Vinitsky, S. I.; Abrashkevich, A. G.: 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 (2014)