KANTBP 3.0: New version of a program for computing energy levels, reflection and transmission matrices, and corresponding wave functions in the coupled-channel adiabatic approach

Abstract
A FORTRAN program for calculating energy values, reflection and transmission matrices, and corresponding wave functions in a coupled-channel approximation of the adiabatic approach is presented. In this approach, a multidimensional Schrödinger equation is reduced to a system of the coupled second-order ordinary differential equations on a finite interval with the homogeneous boundary conditions of the third type at the left- and right-boundary points for continuous spectrum problem. The resul...

Title of program: KANTBP
Catalogue Id: ADZH_v3_0

Nature of problem
In the adiabatic approach [1], a multidimensional Schrödinger equation for quantum reflection [2], three-dimensional tunneling of a diatomic molecule incident upon a potential barrier [3], fission model of collision of heavy ions [4] or the photoionization of a hydrogen atom in magnetic field [5] is reduced by separating the longitudinal coordinate, labeled as z, from the transversal variables to a system of the second-order ordinary differential equations containing the potential matrix element ...

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
本文介绍了一款可在绝热近似方法的耦合通道近似框架下，计算能量值、反射与透射矩阵及对应波函数的FORTRAN程序。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，针对连续谱问题，其左右边界点满足第三类齐次边界条件。研究结果……

程序名称：KANTBP
目录编号：ADZH_v3_0

问题性质
在绝热近似方法[1]中，针对量子反射[2]、入射至势垒的双原子分子三维隧穿[3]、重离子碰撞裂变模型[4]及磁场中氢原子光电离[5]问题的多维薛定谔方程，通过将标记为z的纵向坐标与横向变量分离，约化为包含势矩阵元的二阶常微分方程组……

存放在Mendeley数据集中的CPC程序库内的该程序版本：
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

本程序从贝尔法斯特女王大学馆藏的CPC程序库（1969-2019）导入

搜集汇总

背景与挑战

背景概述

KANTBP 3.0是一个FORTRAN程序数据集，发布于2014年，用于在耦合通道绝热方法中计算能级、反射和透射矩阵及波函数，适用于解决量子物理中的多维薛定谔方程问题。该数据集属于原子物理和计算物理领域，与学术出版物关联，提供代码文件供下载使用。