Chattaraj, Pratim K. ; Ghosh, Swapan K. ; Liu, Shubin ; Parr, Robert G. (1996) Exchange-correlation potential and excited-state density functional theory International Journal of Quantum Chemistry, 60 . pp. 535-543. ISSN 0020-7608
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Official URL: http://www.unc.edu/~shubin/PDFs/IJQC_1996.pdf
Abstract
The exchange-correlation potential associated with excited-state density functional theory is studied numerically using accurate electron densities for ground and excited states of He, Be, Ne, Mg, and Ar. The long-range and short-range behaviors of this potential are discussed. First-excitation energies are estimated using various prescriptions.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to John Wiley and Sons. |
| ID Code: | 71238 |
| Deposited On: | 24 Nov 2011 08:36 |
| Last Modified: | 24 Nov 2011 08:36 |
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