|
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). |