Strong correlation in hydrogen chains and lattices using the variational two-electron reduced density matrix method

Journal of Chemical Physics

Volumn 133, Issue 1, 2010, Pages

  Sinitskiy, Anton V ^a   Greenman, Loren ^a   Mazziotti, David A ^a  

^a UNIVERSITY OF CHICAGO   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIC HYDROGEN; BOND DISTANCE; DISSOCIATION LIMIT; HARTREE-FOCK; HYDROGEN ATOMS; HYDROGEN CHAINS; LINEAR CHAIN; METAL-TO-INSULATOR TRANSITIONS; MULTIREFERENCE METHODS; OFF-DIAGONAL ELEMENTS; ONE-DIMENSIONAL SYSTEMS; REDUCED-DENSITY MATRIX; REFERENCE METHOD; STRONG CORRELATION; STRONG ELECTRON CORRELATIONS; THREE DIMENSIONAL SYSTEMS; THREE-DIMENSIONAL CLUSTERS; TWO-ELECTRON REDUCED-DENSITY-MATRIX (2-RDM);

DISSOCIATION; ELECTRON CORRELATIONS; ELECTRON DENSITY MEASUREMENT; ELECTRONS; HYDROGEN; THREE DIMENSIONAL;

METAL INSULATOR TRANSITION;

EID: 77954577536     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3459059     Document Type: Article

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