A General Minimum Principle for Correlated Densities in Quantum Many-Particle Systems

It is shown that interacting many-particle quantum systems can be described in terms of fully correlated {ital n}-particle densities, which determine uniquely the potential acting on the system and satisfy a minimum principle with respect to the ground-state energy. This leads to a generalization of...

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Veröffentlicht in:Physical Review Letters 1996-09, Vol.77 (14), p.2981-2984
Hauptverfasser: Gonis, A, Schulthess, TC, van Ek J, Turchi, PE
Format: Artikel
Sprache:eng
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Zusammenfassung:It is shown that interacting many-particle quantum systems can be described in terms of fully correlated {ital n}-particle densities, which determine uniquely the potential acting on the system and satisfy a minimum principle with respect to the ground-state energy. This leads to a generalization of ordinary density functional theory in terms of {ital n}-particle densities which allows the direct and self-consistent treatment of correlation effects within electronic structure methods for atoms, molecules, and solids. {copyright} {ital 1996 The American Physical Society.}
ISSN:0031-9007
1079-7114
DOI:10.1103/PhysRevLett.77.2981