One-dimensional Schrödinger equation in the harmonic oscillator basis with various potentials

Abstract
A FORTRAN 77 program has been written for computing the one-dimensional Schrödinger equation in the harmonic oscillator basis. It runs on the personal computer PC-486. Seven different kinds of vibrational operator functions have been considered. The program can be readily modified by users for different purposes. The polynomial potential function is discussed in much detail and comparisons have been made. Some test-run inputs and outputs have also been given.

Title of program: HOTPOT
Catalogue Id: ACVF_v1_0

Nature of problem
The program calculates the one-dimensional Schrodinger equation with seven different types of potentials in the harmonic oscillator basis as formulated by Palting [1]. Those formulas are derived by use of the harmonic oscillator tensor method [2] which includes angular momentum coupling coefficients or Wigner 3-j symbols. It is of fundamental importance in the evaluation of matrix elements in atomic, molecular and solid-state physics, and also in molecular reaction dynamics and the calculation o ...

Versions of this program held in the CPC repository in Mendeley Data
ACVF_v1_0; HOTPOT; 10.1016/0010-4655(94)90170-8

This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)

摘要：一款适用于在谐波振子基下计算一维薛定谔方程的 FORTRAN 77 程序已被编写。该程序在 PC-486 个人计算机上运行。考虑了七种不同的振动算符函数。用户可以轻松地对程序进行修改以适应不同的需求。对多项式势函数进行了详细讨论，并进行了比较分析。同时，还提供了部分测试运行的输入和输出示例。
程序名称：HOTPOT
目录编号：ACVF_v1_0

问题性质：该程序计算了在谐波振子基下，由 Palting [1] 提出的七种不同类型的势能下的薛定谔方程。这些公式是通过谐波振子张量法 [2] 导出的，包括角动量耦合系数或 Wigner 3-j 符号。在原子、分子和固态物理中矩阵元素的评估，以及在分子反应动力学和计算中具有根本性的重要意义。

CPC 仓库中 Mendeley 数据存储的该程序版本：ACVF_v1_0; HOTPOT; 10.1016/0010-4655(94)90170-8

此程序已从贝尔法斯特女王大学（1969-2019）持有的 CPC 程序库中导入。