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

This publication has 11 references indexed in Scilit:

A study of the interpretation of Hund's rule
Theoretical Chemistry Accounts, 1972
Variational Perturbation Theory Study of Some Excited States of Two-Electron Atoms
The Journal of Chemical Physics, 1970
Remarks concerning the theoretical explanation of Hund’s rule
Acta Physica Academiae Scientiarum Hungaricae, 1969
Analysis of the origin of a misconception regarding the triplet state
The Journal of Physical Chemistry, 1969
Perturbation Study of Some Excited States of Two-Electron Atoms
Physical Review B, 1969
Correlation Effects in Complex Spectra. I. Term Energies for the Magnesium Isoelectronic Sequence
The Journal of Chemical Physics, 1966
$2 {}^{1, 3}P$ , $3 {}^{1, 3}P$ , and $4 {}^{1, 3}P$ States of He and the $2 {}^{1}P$ State of ${Li}^{+}$
Physical Review B, 1965
Hartree-Fock and Correlation Energies for 1s2s³S and¹S States of Helium-like Ions
Proceedings of the Physical Society, 1962
Electronic correlation energy in 3- and 4-electron atoms
Journal of Molecular Spectroscopy, 1961
ber den Grundterm der Zweielektronenprobleme von H?, He, Li+, Be++ usw.
The European Physical Journal A, 1930

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