Testing Mulliken approximation using hydrogen atom

Abstract

We computed the ground state energy of the hydrogen atom within the semi-empirical method prescribed by Mulliken. The one-particle basis functions used are Slater-type-orbitals (STO). The exponential parameters terminated at 25. The more the basis set used in the calculation, the better the result, in agreement with standard electronic-structure calculations. The density matrix for the free electron gas at zero temperature was adopted (Xiaoding Zhang and D. A. Drabold. Phys. Rev. B63, 233109 (2001 [10]).

JONAMP Vol. 11 2007: pp. 505-508