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

Published: 01-01-1994| Version 1 | DOI: 10.17632/8psk83jvzh.1
Contributors:
Shan-Tao Lai,
Pancracio Palting,
Ying-Nan Chiu

Description

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)

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