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Electronic excitation spectra from time-dependent density functional response theory using plane-wave methods

โœ Scribed by Nikos L. Doltsinis; Michiel Sprik


Book ID
108312097
Publisher
Elsevier Science
Year
2000
Tongue
English
Weight
116 KB
Volume
330
Category
Article
ISSN
0009-2614

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Excitation energies from time-dependent
โœ M. Petersilka; E. K. U. Gross; Kieron Burke ๐Ÿ“‚ Article ๐Ÿ“… 2000 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 308 KB ๐Ÿ‘ 1 views

The role of the exchange-correlation potential and the exchange-correlation kernel in the calculation of excitation energies from time-dependent density functional theory is studied. Excitation energies of the helium and beryllium atoms are calculated, both from the exact Kohn-Sham ground-state pote