Overlaps of Trial Functions for the Hydrogen Molecule. I. Groundhyphen;State Character of the1sA.O. Approximations

摘要

The contributions of the ground state wave function in some of the trial functions for the hydrogen molecule have been evaluated as the overlap integrals of the trial functions with the thirteen term function of James and Coolidge. The rms errors and mean excited state energies are presented and the results of a binding energy calculation reported.