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arXiv:1005.1341 · Physical Review Letters

Semiclassical Electron Correlation in Density-Matrix Time Propagation

Arun K. Rajam, Izabela Raczkowska, Neepa T. Maitra

Published Sep 7, 2010• 24 citations
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Abstract

Lack of memory (locality in time) is a major limitation of almost all present time-dependent density-functional approximations. By using semiclassical dynamics to compute correlation effects in the time propagation of the density matrix, we incorporate memory, including initial-state dependence, as well as changing occupation numbers, and predict more observables in strong-field applications.

DOI
10.1103/physrevlett.105.113002

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