A program to generate numerical orbital functions

Published: 01-01-1970| Version 1 | DOI: 10.17632/dscjywcfh9.1
Contributor:
W.D. Robb

Description

Title of program: NUMERICAL ORBITAL FUNCTIONS Catalogue Id: ACQS_v1_0 Nature of problem The program BASFUN solves the radial Schrodinger equation for any specified central potential and angular momentum, either at a given energy, or subject to a given R-matrix boundary condition. In both cases the solution can be made orthogonal to any number of specified functions. The eigenfunctions which are obtained in numerical form are required: (a) as continuum basis functions in an R-matrix calculation, (b) as Sturmian functions to be used in the calculation of atomic properties such as the ... Versions of this program held in the CPC repository in Mendeley Data ACQS_v1_0; NUMERICAL ORBITAL FUNCTIONS; 10.1016/0010-4655(70)90021-4 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)

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