Electronic wave functions VII. Methods of evaluating the fundamental coefficients for the expansion of vector-coupled Schrödinger integrals and some values of these

Abstract
The evaluation of all types of numerical data required for the expansion of Schrodinger matrix elements between antisymmetric vector-coupled functions in terms of one- and two-electron integrals is described. Some coefficients are effectively evaluated by the defining relations, but others can be most briefly evaluated by derived procedures. The values of ranges of all the necessary coefficients are given. The expansions of a set of integrals between functions derived from p 6 S 1 by single and double replacements are also given. These constitute a set which is used repeatedly in the variational treatment of all atoms more complicated than fluorine.

This publication has 2 references indexed in Scilit: