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cond-mat.mtrl-sci2000
Excitation energies from time-dependent density functional theory using exact and approximate functionals
Martin Petersilka, E. K. U. Gross, Kieron Burke
The role of the exchange-correlation potential and the exchange-correlation kernel in the calculation of excitation energues from time-dependent density functional theory is studie…
cond-mat.mtrl-sci2000
A hybrid functional for the exchange-correlation kernel in time-dependent density functional theory
Kieron Burke, Martin Petersilka, E. K. U. Gross
A review of the approximations in any time-dependent density functional calculation of excitation energies is given. The single-pole approximation for the susceptibility is used to…