Phase-Space Explorations in Time-Dependent Density Functional Theory
Materials Science
2010-03-22 v1
Abstract
We discuss two problems which are particularly challenging for approximations in time-dependent density functional theory (TDDFT) to capture: momentum-distributions in ionization processes, and memory-dependence in real-time dynamics. We propose an extension of TDDFT to phase-space densities, discuss some formal aspects of such a "phase-space density functional theory" and explain why it could ameliorate the problems in both cases. For each problem, a two-electron model system is exactly numerically solved and analysed in phase-space via the Wigner function distribution.
Cite
@article{arxiv.0902.1965,
title = {Phase-Space Explorations in Time-Dependent Density Functional Theory},
author = {Arun K. Rajam and Paul Hessler and Christian Gaun and Neepa T. Maitra},
journal= {arXiv preprint arXiv:0902.1965},
year = {2010}
}
Comments
11 pages