Method of the orthonormalityhyphen;constrained variation: A pair of basis sets and the pairhyphen;orthogonality

摘要

The orthogonality between sets of basis vectors, referred below to as pairhyphen;orthogonality, is examined from a variational point of view. Both how to constitute pairhyphen;orthogonal vectors and how to retain the pairhyphen;orthogonality conditions in the course of variation are presented. The relation of the vectors to canonically orthonormalized Louml;wdin vectors is noted.