Restoration of Many Electron Wave Functions from One-Electron Density

2003/10/09 by A. I. Panin, Panin, A. I., A. N. Petrov +1
Physics and Astronomy · #Chemical Physics (physics.chem-ph) #FOS: Physical sciences #physics.chem-ph

paper · pdf · doi:10.48550/arxiv.physics/0310043

LaTex, 10 pages

arxiv created 2003/10/09 · arxiv updated 2009/12/01

Abstract

General theorem describing a relation between diagonal of one-electron density matrix and a certain class of many-electron ensembles of determinant states is proved. As a corollary to this theorem a constructive proof of sufficiency of Coleman's representability conditions is obtained. It is shown that there exist rigorous schemes for construction of energy of many-electron system as functionals of one-electron density.

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• Rigorous description of exchange-correlation energy of many-electron systems
• Self-consistent energy approximation for orbital-free density-functional theory
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