Unitary group approach to general system partitioning. II. U(n) matrix element evaluation in a composite basis
M. D. Gould · International Journal of Quantum Chemistry · 1986
Abstract An explicit segment level formalism is derived for the matrix elements of the U(n) generators in an arbitrary (multishell) composite basis. The results of this paper, which contain the usual (spin‐independent) unitary calculus approach as a limiting case, yield a more powerful and versatile algorithm than the traditional (spin‐independent) unitary group formalism.