CCL Home Page
Up Directory CCL 190.html
QCPE

THIS INFORMATION IS OBSOLETE AND IS PROVIDED ONLY FOR ITS HISTORICAL VALUE

QCPE
Main / Catalog / Section10


190. APER: Seventh-Order Nondegenerate Double- Perturbation Calculation

by Delano P. Chong, University of British Columbia, Vancouver, British Columbia, Canada

This program solves (H + lV + mW) j = E, by expansions in the basis set of unperturbed eigenfunctions {f}. This program is similar to part of QCPE 139. EP (K) = eigenvalues of H; V(K,L) and W(K,L) are matrix representations of V and W in the {f} basis. The energy is expanded in a double power series: E = ä ä lm E(L,M). Subroutine APER takes EP, V, and W as input and produces E(L,M) for L + M < 7 as output.

FORTRAN IV (IBM 360/67) Lines of Code: 754 Recommended Citation: D. P. Chong, QCPE 11, 190 (1971).



Computational Chemistry List --- QCPE Main --- About This Site
Modified: Fri Nov 20 02:29:36 2009 GMT
Page accessed 13 times since Tue Dec 23 04:03:51 2025 GMT