Hund's rule and theZexpansion for the energy, electron repulsion and electron nuclear attraction

1 March 1973

journal article
research article
Published by Taylor & Francis in Molecular Physics

Vol. 25 (3) , 701-705
https://doi.org/10.1080/00268977300100631

Abstract

A Z expansion is derived for the expectation values of the interelectronic repulsion energy and the electron-nuclear attraction energy in atomic states. The formalism, which is based on a non-relativistic hamiltonian, is applied to excited states in iso-electronic sequences. It appears that there are many cases where the state of the highest multiplicity has the larger expectation value for the interelectronic repulsion energy although it has a lower total energy.

Keywords

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