On the Electronic Energy of a One-Electron Diatomic Molecule near the United Atom
The behavior of the electronic energy for the ground state of a one-electron heteronuclear diatomic molecule in the vicinity of the united atom is obtained through terms of order R5 in the internuclear distance R. The presence of a term in R5logR reveals that the electronic energy is not an analytic...
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Veröffentlicht in: | The Journal of chemical physics 1966-05, Vol.44 (10), p.3934-3940 |
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Hauptverfasser: | , |
Format: | Artikel |
Sprache: | eng |
Online-Zugang: | Volltext |
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Zusammenfassung: | The behavior of the electronic energy for the ground state of a one-electron heteronuclear diatomic molecule in the vicinity of the united atom is obtained through terms of order R5 in the internuclear distance R. The presence of a term in R5logR reveals that the electronic energy is not an analytic function of R at the united atom. The expansion is checked by means of the Hellmann—Feynman theorem and the work of Dalgarno and Lynn. |
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ISSN: | 0021-9606 1089-7690 |
DOI: | 10.1063/1.1726555 |