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Exchange - correlation potential and excited-state density functional theory (1996)

Chattaraj, Pratim K. ; Ghosh, Swapan K. ; Liu, Shubin ; [et al.]

New York, NY : Wiley-Blackwell

International Journal of Quantum Chemistry 60 (1996), S. 535-543

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Details

ISSN: 0020-7608

Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics

Source: Wiley InterScience Backfile Collection 1832-2000

Topics: Chemistry and Pharmacology

Notes: 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. © 1996 John Wiley & Sons, Inc.

Additional Material: 3 Ill.

Type of Medium: Electronic Resource

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