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QCPE

THIS INFORMATION IS OBSOLETE AND IS PROVIDED ONLY FOR ITS HISTORICAL VALUE

QCPE
Main / Catalog / Section03


422. SCEP: Method of Self-Consistent Electron Pairs

by Jose Kaneti, Institute of Organic Chemistry, Bulgarian Academy of Sciences, 1040 Sofia, Bulgaria

This is a version of QCPE 346 by C. Dykstra which is specifically for IBM computers and is specifically interfaced to the IBM GAUSSIAN-76 program (QCPE 391).

This program is limited to singly and doubly excited configurations ofa closed-shell reference configuration.

To make use of this system, you must already have QCPE 391.

FORTRAN IV (IBM) Lines of Code: 2631


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