Semiclassical Electron Correlation in Density-Matrix Time-Propagation
Chemical Physics
2015-05-18 v2 Materials Science
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.
Cite
@article{arxiv.1005.1341,
title = {Semiclassical Electron Correlation in Density-Matrix Time-Propagation},
author = {A. K. Rajam and I. Raczkowska and N. T. Maitra},
journal= {arXiv preprint arXiv:1005.1341},
year = {2015}
}
Comments
4.5 pages, 1 figure