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QCPE

THIS INFORMATION IS OBSOLETE AND IS PROVIDED ONLY FOR ITS HISTORICAL VALUE

QCPE
Main / Catalog / Section10


139. Perturbation Calculation

by D. P. Chong, Department of Chemistry, University of British Columbia, Vancouver, British Columbia, Canada

This offering is a group of three routines which accomplish the following types of perturbation calculations:Seventh-Order Degenerate Rayleigh- Schrödinger; Seventh-Order Nondegenerate Rayleigh- Schrödinger; and the solution of the constrained secular equation (H + C' - El) A = O, A + CA = O.

FORTRAN IV Lines of Code: 1449 Recommended Citation: D. P. Chong, QCPE 11, 139 (1969).


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