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 |
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creator | Gonis, A Schulthess, TC van Ek J Turchi, PE |
description | 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.} |
doi_str_mv | 10.1103/PhysRevLett.77.2981 |
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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.}</description><subject>ATOMS</subject><subject>CORRELATIONS</subject><subject>DENSITY FUNCTIONAL METHOD</subject><subject>DENSITY MATRIX</subject><subject>ELECTRONIC STRUCTURE</subject><subject>MANY-BODY PROBLEM</subject><subject>MOLECULES</subject><subject>PHYSICS</subject><subject>POTENTIALS</subject><subject>QUANTUM MECHANICS</subject><subject>SOLIDS</subject><issn>0031-9007</issn><issn>1079-7114</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>1996</creationdate><recordtype>article</recordtype><recordid>eNpNkE9LwzAYh4Mobk4_gSD15qUzadomOY6pU9hw_tk5pOlbFmnTmaRCv70d22Gn9_I8vxcehG4JnhKC6eN62_tP-FtCCFPGpong5AyNCWYiZoSk52iMMSWxwJiN0JX3PxhjkuT8Eo0IxnlCMBmjzSxagAWn6mhlrGm6Jlo7Y7XZ1RBVrYvmrXNQqwBl9ATWm2DAR8ZGH52yYaBXyvbxWrlg9GB89T5A46_RRaVqDzfHO0Gbl-fv-Wu8fF-8zWfLWNNEhLgoClaqChdZyoGWRSkqnSU656WGLFc8TSuFM84o05SVjHCh0pRpqDivBkzTCbo_7LY-GOm1CaC3urUWdJCUZ4xnA_NwYHau_e3AB9kYr6GulYW285LwTCQiH_INKD2g2rXeO6jkzplGuV4SLPfN5UlzyZjcNx-su-ODrmigPHEOkek_BTOAtQ</recordid><startdate>19960930</startdate><enddate>19960930</enddate><creator>Gonis, A</creator><creator>Schulthess, TC</creator><creator>van Ek J</creator><creator>Turchi, PE</creator><scope>NPM</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>7X8</scope><scope>OTOTI</scope></search><sort><creationdate>19960930</creationdate><title>A General Minimum Principle for Correlated Densities in Quantum Many-Particle Systems</title><author>Gonis, A ; Schulthess, TC ; van Ek J ; Turchi, PE</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c329t-bbb7daf0b548e3dbd9fc52c68dce56a844fa058737c37d7189a447cef88f2c6c3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>1996</creationdate><topic>ATOMS</topic><topic>CORRELATIONS</topic><topic>DENSITY FUNCTIONAL METHOD</topic><topic>DENSITY MATRIX</topic><topic>ELECTRONIC STRUCTURE</topic><topic>MANY-BODY PROBLEM</topic><topic>MOLECULES</topic><topic>PHYSICS</topic><topic>POTENTIALS</topic><topic>QUANTUM MECHANICS</topic><topic>SOLIDS</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Gonis, A</creatorcontrib><creatorcontrib>Schulthess, TC</creatorcontrib><creatorcontrib>van Ek J</creatorcontrib><creatorcontrib>Turchi, PE</creatorcontrib><creatorcontrib>Lawrence Livermore National Lab. 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subjects | ATOMS CORRELATIONS DENSITY FUNCTIONAL METHOD DENSITY MATRIX ELECTRONIC STRUCTURE MANY-BODY PROBLEM MOLECULES PHYSICS POTENTIALS QUANTUM MECHANICS SOLIDS |
title | A General Minimum Principle for Correlated Densities in Quantum Many-Particle Systems |
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