On the "Causality Paradox" of Time-Dependent Density Functional Theory

2008/03/18 by G. Vignale · 1 citation
Physics and Astronomy · #cond-mat.mtrl-sci

paper · pdf · doi:10.1103/physreva.77.062511

21 pages

arxiv created 2008/03/18 · arxiv updated 2009/12/01

Abstract

I show that the so-called causality paradox of time-dependent density functional theory arises from an incorrect formulation of the variational principle for the time evolution of the density. The correct formulation not only resolves the paradox in real time, but also leads to a new expression for the causal exchange-correlation kernel in terms of Berry curvature. Furthermore, I show that all the results that were previously derived from symmetries of the action functional remain valid in the present formulation. Finally, I develop a model functional theory which explicitly demonstrates the workings of the new formulation.

Cited by

• Modifying the variational principle in the action integral functional derivation of time-dependent density functional theory

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