A spin‐dependent unitary group approach to many‐electron systems

Abstract

Abstract In this article we derive a segment‐level formula for the matrix elements of the U (2 n ) generators in a basis symmetry adapted to the subgroup U ( n ) × U ( 2 ) (i.e., spin‐orbit basis), for the representations appropriate to many‐electron systems. This enables the direct evaluation of the matrix elements of spin‐dependent Hamiltonians.