FORTRAN program for the integral of three spherical harmonics

Published: 1 January 1982| Version 1 | DOI: 10.17632/39cxf7rd37.1
Contributor:
Adelsindo Liberato de Brito

Description

Title of program: F3Y Catalogue Id: AAQQ_v1_0 Nature of problem First-principles calculations on atoms and molecules usually express the many-body wave function psi in terms one-particle states of the form phi(r) = Rnl(r)Ylm(theta, phi), and the evaluation of physical quantities form psi invariably requires a considerable amount of manipulation of the Ylm(theta, phi). Integrals of products of spherical harmonics appear in the evaluation of Coulomb matrix elements in atomic calculations and they are closely related to the addition of angular momenta. We there ... Versions of this program held in the CPC repository in Mendeley Data AAQQ_v1_0; F3Y; 10.1016/0010-4655(82)90046-7 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)

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Computational Physics, Computational Method

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