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A study of the interpretation of Hund's rule

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Abstract

Energy differences between atomic terms belonging to the same configuration are analysed into their components, kinetic energy, nuclear attraction and interelectronic repulsion. The results are discussed from the point of view of the interpretation of Hund's rule. The main conclusion is that the energy differences between terms are essentialy determined by nuclear attraction differences, an obvious contradiction to the traditional interpretation of Hund's rule.

Zusammenfassung

Die Energieunterschiede zwischen Atomtermen mit derselben Konfiguration werden mit Hilfe der Zerlegung in kinetische Energie, Kernanziehung und Elektronenabstoßung untersucht. Die Ergebnisse werden im Hinblick auf die Interpretation der Hundschen Regel diskutiert. Das Hauptergebnis ist, daß die Energiedifferenzen zwischen Termen im wesentlichen durch die Differenzen in der Kernanziehung bestimmt sind; dies stellt einen offensichtlichen Widerspruch zur traditionellen Interpretation der Hundschen Regel dar.

Résumé

Analyse des différences d'énergie entre termes atomiques appartenant à la même configuration selon leurs composantes: énergie cinétique, attraction nucléaire et répulsion interélectronique. Les résultats sont discutés du point de vue de l'interprétation de la règle de Hund. La conclusion principale est que les différences d'énergie entre les termes sont essentiellement déterminées par les différences d'attraction nucléaire, ce qui est en contradiction évidente avec l'interprétation traditionnelle de la règle de Hund.

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Based on a part of a thesis to be submitted to the senate of the Technion-Israel Institute of Technology, in partial fulfilment of the requirements for the D. Sc. degree.

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Katriel, J. A study of the interpretation of Hund's rule. Theoret. Chim. Acta 23, 309–315 (1972). https://doi.org/10.1007/BF00526436

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  • DOI: https://doi.org/10.1007/BF00526436

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