Polymol: A general program for the calculation of ground-state wave functions of polymers

Published: 1 January 1970| Version 1 | DOI: 10.17632/vw8dbhr63z.1
Contributor:
Jean-Marie Andre

Description

Title of program: POLYMOL Catalogue Id: ABYA_v1_0 Nature of problem POLYMOL is an SCF LCGO program, designed for computing the all- electrons band structure of periodic polymers. The program handles only closed shells. Versions of this program held in the CPC repository in Mendeley Data ABYA_v1_0; POLYMOL; 10.1016/0010-4655(70)90013-5 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)

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