Field and field gradient integrals based on Gaussian type orbitals

Published: 1 January 1972| Version 1 | DOI: 10.17632/wy9g8fsm9j.1
Contributor:
Osamu Matsuoka

Description

Title of program: FGRAD Catalogue Id: ABYC_v1_0 Nature of problem The function subprogram FGRAD with associated subroutines FGAMA and FTABL computes the field gradient integral based on combined or contracted gaussian-type orbitals (CGTO). Versions of this program held in the CPC repository in Mendeley Data ABYC_v1_0; FGRAD; 10.1016/0010-4655(72)90060-4 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)

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Physical Chemistry, Molecular Physics, Computational Physics

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