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Exchange—correlation potential and excited-state density functional theory

✍ Scribed by Pratim K. Chattaraj; Swapan K. Ghosh; Shubin Liu; Robert G. Parr

Publisher
John Wiley and Sons
Year
1996
Tongue
English
Weight
545 KB
Volume
60
Category
Article
ISSN
0020-7608

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✦ Synopsis

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.

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