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QCPE

THIS INFORMATION IS OBSOLETE AND IS PROVIDED ONLY FOR ITS HISTORICAL VALUE

QCPE
Main / Catalog / Section12


QCMP102. The Hartree-Fock-Slater System of Programs for Qualitative Atomic Structure Calculations on IBM PC and Compatible Systems

converted by A. Herman, Department of Chemistry, Technical University, 80-952 Gdansk, Poland, after F. Herman and S. Skillman

The Hartree-Fock-Slater system of programs has been converted for IBM PC to give qualitative wave mechanical descriptions of atoms. These programs employ Slater's simplified version of the Hartree-Fock equations and certain simplifying assumptions which have been described in Frank Herman and Sherwood Skillman's original book.

Lines of Code: 1904 FORTRAN 77 or IBM PROFESSIONAL FORTRAN


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