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Density-functional exchange-correlation potentials and orbital eigenvalues for light atoms

✍ Scribed by Almbladh, C. O.; Pedroza, A. C.


Book ID
126478612
Publisher
The American Physical Society
Year
1984
Tongue
English
Weight
628 KB
Volume
29
Category
Article
ISSN
1050-2947

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Exchangeβ€”correlation potential and excit
✍ Pratim K. Chattaraj; Swapan K. Ghosh; Shubin Liu; Robert G. Parr πŸ“‚ Article πŸ“… 1996 πŸ› John Wiley and Sons 🌐 English βš– 545 KB

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 ener