Knowledge Bank

“The Barnett-Coulson zeta $functions1$ were combined with spherical harmonics to form a complete set of one electron functions, which are used as the basis of an off-center description of the hydrogen atom. The wave function is an infinite series. The convergence properties and symmetry properties of the wave function and its associated electron density were studied as a function of truncation of the series, comparison being made with the exact is solution. The convergence of the total electronic energy and dipole moment were also studied. All properties are very well reproduced with only a few terms of the wave function. A means of incorporating these functions in variational central held molecular calculations is pointed out.”