Delta-Function Model. I. Electronic Energies of Hydrogen-Like Atoms and Diatomic Molecules

Publisher Website
Google Scholar
Abstract
The electron in a one‐electron atom or diatomic molecule is considered to move in one dimension on a line through the nuclei. The potential energy is taken as zero except at the nuclei where it goes to minus infinity as negative delta functions. The exact solution is easily obtained with the wave function accurately expressible as a linear combination of atomic orbitals. In contrast to the free electron model this method handles heteronuclear molecules, does not arbitrarily limit the coordinate, and can predict ionization energies.