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arxiv: 0902.1965 · v1 · pith:FQTNZ4AI · submitted 2009-02-11 · cond-mat.mtrl-sci

Phase-Space Explorations in Time-Dependent Density Functional Theory

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classification cond-mat.mtrl-sci
keywords phase-spacedensityfunctionaltheorydiscussproblemstddfttime-dependent
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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.

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