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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 |