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A hybrid functional for the exchange-correlation kernel in time-dependent density functional theory

Kieron Burke·Martin Petersilka·E. K. U. Gross
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Abstract

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 understand errors in popular approximations for the exchange-correlation kernel. A new hybrid of exact exchange and adiabatic local density approximation is proposed and tested on the He and Be atoms.

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Kieron Burke, Martin Petersilka, E. K. U. Gross. 2000-01-12. A hybrid functional for the exchange-correlation kernel in time-dependent density functional theory. https://arxiv.org/abs/cond-mat/0001153

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