4.8 Article

Semiclassical Electron Correlation in Density-Matrix Time Propagation

期刊

PHYSICAL REVIEW LETTERS
卷 105, 期 11, 页码 -

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AMER PHYSICAL SOC
DOI: 10.1103/PhysRevLett.105.113002

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  1. National Science Foundation [CHE-0647913]
  2. Research Corporation Cottrell Scholar

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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.

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