KANTBP 2.0: New version of a program for computing energy levels, reaction matrix and radial wave functions in the coupled-channel hyperspherical adiabatic approach
Description
Abstract A FORTRAN 77 program for calculating energy values, reaction matrix and corresponding radial wave functions in a coupled-channel approximation of the hyperspherical adiabatic approach is presented. In this approach, a multi-dimensional Schrödinger equation is reduced to a system of the coupled second-order ordinary differential equations on a finite interval with homogeneous boundary conditions: (i) the Dirichlet, Neumann and third type at the left and right boundary points for continuous spe... Title of program: KANTBP Catalogue Id: ADZH_v2_0 Nature of problem In the hyperspherical adiabatic approach [3 5], a multidimensional Schrödinger equation for a two-electron system [6] or a hydrogen atom in magnetic field [7 9] is reduced by separating radial coordinate ρ from the angular variables to a system of the second-order ordinary differential equations containing the potential matrix elements and first-derivative coupling terms. The purpose of this paper is to present the finite element method procedure based on the use of high-order accuracy approxima ... Versions of this program held in the CPC repository in Mendeley Data ADZH_v1_0; KANTBP; 10.1016/j.cpc.2007.05.016 ADZH_v2_0; KANTBP; 10.1016/j.cpc.2008.06.005 ADZH_v3_0; KANTBP; 10.1016/j.cpc.2014.08.002 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)