An Accurate Few-Parameter Ground State Wave Function for the Lithium Atom

摘要

A simple, seven-parameter trial function is proposed for a description of the ground state of the Lithium atom. It includes both spin functions. biter-electronic distances appear in exponential form as well as in a pre-exponential factor, and the necessary energy matrix elements are evaluated by numerical integration in the space of the relative coordinates. Encouragingly accurate values of the energy and the cusp parameters as well as for some expectation values are obtained. (C) 2009 Wiley Periodicals, Inc. Int J Quantum Chem 109: 3036-3040, 2009