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Excitation energies with time-dependent density matrix functional theory: Singlet two-electron systems

โœ Scribed by Giesbertz, K. J. H.; Pernal, K.; Gritsenko, O. V.; Baerends, E. J.


Book ID
120290157
Publisher
American Institute of Physics
Year
2009
Tongue
English
Weight
628 KB
Volume
130
Category
Article
ISSN
0021-9606

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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