New description of orbital motion with arbitrary angular momenta

Abstract

A formulation is presented for a variational calculation of N-body systems on a correlated Gaussian basis with arbitrary angular momenta. The rotational motion of the system is described with a single spherical harmonic of the total angular momentum L, and thereby needs no explicit coupling of partial waves between particles. A simple generating function for the correlated Gaussian is exploited to derive the matrix elements. The formulation is applied to various Coulomb three-body systems such as , and up to L = 4 in order to show its usefulness and versatility. A stochastic selection of the basis functions yields good results for various angular momentum states.