The utilization of abelian point group symmetry in the graphical unitary group approach to the calculation of correlated electronic wavefunctions

Abstract

A procedure is described for the utilization of abelian point group symmetry in the graphical unitary group approach (GUGA) to calculations of correlated electronic wavefunctions. The procedure is based on a recursively computed set of symmetry dependent counting indices, and results in the separate numbering , without gaps, of the Gelfand states (configuration functions) belonging to each symmetry species.