KANTBP: A program for computing energy levels, reaction matrix and radial wave functions in the coupled-channel hyperspherical adiabatic approach

Abstract
A FORTRAN 77 program is presented which calculates energy values, reaction matrix and corresponding radial wave functions in a coupled-channel approximation of the hyperspherical adiabatic approach. In this approach, a multi-dimensional Schrödinger equation is reduced to a system of the coupled second-order ordinary differential equations on the finite interval with homogeneous boundary conditions of the third type. The resulting system of radial equations which contains the potential matrix ...

Title of program: KANTBP
Catalogue Id: ADZH_v1_0

Nature of problem
In the hyperspherical adiabatic approach [2-4], a multi-dimensional Schrödinger equation for a two-electron system [5] or a hydrogen atom in magnetic field [6] is reduced by separating the radial coordinate ρ from the angular variables to a system of second-order ordinary differential equations which contain 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 approximati ...

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)

摘要
本文提出一款FORTRAN 77程序，可在超球绝热近似（hyperspherical adiabatic approach）的耦合通道近似框架下，计算能量值、反应矩阵以及对应的径向波函数。该方法将多维薛定谔方程（Schrödinger equation）约化为有限区间上的耦合二阶常微分方程组，并配以第三类齐次边界条件。所得径向方程组包含势能矩阵……

程序名称：KANTBP
目录编号：ADZH_v1_0

问题属性
在超球绝热近似[2-4]中，通过将径向坐标ρ与角变量分离，两电子体系[5]或磁场中氢原子[6]的多维薛定谔方程可被约化为一组包含势能矩阵元与一阶导数耦合项的二阶常微分方程组。本文旨在提出一种基于高精度近似的有限元方法求解流程……

Mendeley数据平台CPC知识库中收录的本程序版本
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

本程序源自贝尔法斯特女王大学馆藏的CPC程序库（1969-2019年）