Pseudopotential matrix elements in the Gaussian basis

Published: 2 July 1981| Version 1 | DOI: 10.17632/gmtr6v88xt.1
Contributor:
M. Kolář

Description

Title of program: COMPANGI Catalogue Id: AAQN_v1_0 Nature of problem Computation of angular integrals for the program PSEPO1. Versions of this program held in the CPC repository in Mendeley Data aaqn_v1_0; COMPANGI; 10.1016/0010-4655(81)90003-5 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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