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QCPE

THIS INFORMATION IS OBSOLETE AND IS PROVIDED ONLY FOR ITS HISTORICAL VALUE

QCPE
Main / Catalog / Section04


91. CNDO/2: Molecular Calculations with Complete Neglect of Differential Overlap

by G. A. Segal, Carnegie-Mellon University, Pittsburgh, Pennsylvania 15213

This program performs molecular orbital calculations for molecules in open- or closed-shell electronic configurations using the CNDO method as described in J. A. Pople and G. A. Segal, J. Chem. Phys., 44, 3289 (1966).The program is designed for efficient treatment of large molecules. It requires a computing system having a chain (overlay) facility.

FORTRAN IV (IBM 7040) Lines of Code: 982 Recommended Citation: G. A. Segal, QCPE 11, 91 (1966).


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