E. Besalu et R. Carbo, GENERALIZED RAYLEIGH-SCHRODINGER PERTURBATION-THEORY IN MATRIX FORM, Journal of mathematical chemistry, 15(3-4), 1994, pp. 397-406
The nested summation symbols (NSS) formalism is used as a starting poi
nt to formulate a completely general Rayleigh-Schrodinger perturbation
theory (RSPT) scheme. In order to make the theoretical framework prac
tical from a computational point of view, the matrix form for the theo
ry is given in every case. As a result, an algorithmic iterative recip
e to compute eigenvalue and eigenvector corrections up to any order is
described. Degenerate systems are also treated. At the same time the
described procedure allows the computation of eigenvalue and eigenvect
or derivatives with respect to a set of parameters.