g-matrix based on configuration interaction and Stone's perturbation theory

J Magn Reson. 1999 May;138(1):74-9. doi: 10.1006/jmre.1999.1706.

Abstract

Stone's formula, which has usually been applied to the calculation of the g-matrix, is based on a single-configuration treatment. Here a limited configuration interaction is included to obtain the expressions of the principal g values for an orbitally nondegenerate molecule with spin S = 12. Copyright 1999 Academic Press.