He–Li+ Interaction Energy at Small Internuclear Distances
A single configuration MO-SCF calculation of the He-Li+ interaction energy in the Born-Oppenheimer approximation for internuclear separations between 0.1 and 0.7 Å is found to be in diasgreement with the same interaction deduced by Zehr and Berry from atomic scattering data. The calculated/experimen...
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| Veröffentlicht in: | The Journal of chemical physics 1968-01, Vol.48 (1), p.215-217 |
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| Format: | Artikel |
| Sprache: | eng |
| Online-Zugang: | Volltext |
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| Zusammenfassung: | A single configuration MO-SCF calculation of the He-Li+ interaction energy in the Born-Oppenheimer approximation for internuclear separations between 0.1 and 0.7 Å is found to be in diasgreement with the same interaction deduced by Zehr and Berry from atomic scattering data. The calculated/experimental ratio for the energy is approximately 1.4 for 0.21 Å |
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| ISSN: | 0021-9606 1089-7690 |
| DOI: | 10.1063/1.1667904 |