Article,

Excitation Energies in Time-Dependent (Current-) Density-Functional Theory: A Simple Perspective

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JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 5 (4): 859-865 (April 2009)
DOI: 10.1021/ct800507m

Abstract

This paper gives a simple and pedagogical explanation, using density matrices of two-level systems, how to calculate excitation energies with time-dependent density-functional theory. The well-known single-pole approximation for excitation energies is derived here in an alternative way and extended to time-dependent current-density-functional theory.

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