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

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

2000-01-12

arxiv.org/abs/cond-mat/0001153v1

Physics

Condensed Matter

Materials Science

seven two-column pages, including one figure, to appear in "Recent advances in density functional methods, Vol. III", ed. by P

Scientific paper

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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