Sen, K. D. (1992) An accurate local exchange potential for atomic one- and two-electron excited states Chemical Physics Letters, 188 (5-6). pp. 510-512. ISSN 0009-2614
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Official URL: http://www.sciencedirect.com/science/article/pii/0...
Related URL: http://dx.doi.org/10.1016/0009-2614(92)80857-8
Abstract
An orbital-generated local exchange potential, obtained as the work done in moving an electron in the electric field of its Fermi hole, is found to give Hartree-Fock quality results for the one- and two-electron excited states of Na and Be, respectively. The calculated total energies are found to provide upper bounds to the Hartree-Fock energies.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to Elsevier Science. |
| ID Code: | 44973 |
| Deposited On: | 24 Jun 2011 13:45 |
| Last Modified: | 24 Jun 2011 13:45 |
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