Harbola, Manoj K. ; Sen, K. D. (2002) Modified Slater potential and its application to the ground-states and excited-states of atomic systems International Journal of Quantum Chemistry, 90 (1). pp. 327-333. ISSN 0020-7608
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Official URL: http://onlinelibrary.wiley.com/doi/10.1002/qua.943...
Related URL: http://dx.doi.org/10.1002/qua.943
Abstract
The exact Slater potential (Slater, J. C. Phys Rev 1951, 81, 385) is calculated by treating the Fermi hole as a static charge distribution. However, the Fermi hole is a dynamic quantity and changes as an electron moves through an inhomogeneous electron gas. In this article, we follow the ideas of Harbola and Sahni (Phys Rev Lett 1989, 62, 489) to modify the Slater potential by adding to it a term that accounts for the dynamic nature of the Fermi hole in an approximate manner. The results obtained from this potential are shown to be highly accurate over a wide range of atomic systems.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to John Wiley and Sons. |
| Keywords: | Density Functional Theory; Excited States; Negative Ions; Multiplication Exchange-potential |
| ID Code: | 45030 |
| Deposited On: | 24 Jun 2011 13:48 |
| Last Modified: | 24 Jun 2011 13:48 |
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