Simple preconditioning for time-dependent density functional perturbation theory.

Abstract

By far, the most common use of time-dependent density functional theory is in the linear-reponse regime, where it provides information about electronic excitations. Ideally, the linear-response equations should be solved by a method that avoids the use of the unoccupied Kohn-Sham states--such as the Sternheimer method--as this reduces the complexity and… (More)
DOI: 10.1063/1.3606467

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