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Core Polarization in Li2
The contribution of core polarizaiion to the small binding energy of Li₂ and its sensitivity to the crudeness of the outer molecular orbitals used was examined by calculated values. Callaway-s potential Vp resulting from the instantaneous polarization of (Li⁺) by a slow electron. The main parting co...
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Published in: | The Journal of chemical physics 1961-03, Vol.34 (3), p.1078-1079 |
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Main Authors: | , |
Format: | Article |
Language: | English |
Subjects: | |
Citations: | Items that this one cites Items that cite this one |
Online Access: | Get full text |
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Summary: | The contribution of core polarizaiion to the small binding energy of Li₂ and its sensitivity to the crudeness of the outer molecular orbitals used was examined by calculated values. Callaway-s potential Vp resulting from the instantaneous polarization of (Li⁺) by a slow electron. The main parting coming from the dipole terms, was used. Results showed that core polarization contributed appreciably to the total energies of Li and Liz; however, the effects on the two almost cancel and yield a small coniribution to the binding energy. (N.W.R.) |
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ISSN: | 0021-9606 1089-7690 |
DOI: | 10.1063/1.1731657 |