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Semiclassical Electron Correlation in Density-Matrix Time-Propagation

Published 8 May 2010 in physics.chem-ph and cond-mat.mtrl-sci | (1005.1341v2)

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 within a density-matrix functional approach, we incorporate memory, including initial-state dependence, as well as changing occupation numbers, and predict more observables in strong-field applications.

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