Molecular properties from variational reduced-density-matrix theory with three-particle N -representability conditions

Journal of Chemical Physics

Volumn 126, Issue 2, 2007, Pages

  Gidofalvi, Gergely ^c   Mazziotti, David A ^a,b  

^a UNIVERSITY OF CHICAGO   (United States)

^b UNIVERSITY OF CHICAGO   (United States)

^c NONE

Author keywords

[No Author keywords available]

Indexed keywords

CORRELATION ENERGY; ELECTRON WAVE FUNCTION; GROUND STATE ENERGY; MOLECULAR PROPERTIES;

GROUND STATE; KINETIC ENERGY; MOLECULAR DYNAMICS; POTENTIAL ENERGY;

ELECTRONIC STRUCTURE;

BIOPOLYMER;

ALGORITHM; ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; QUANTUM THEORY;

ALGORITHMS; BIOPOLYMERS; COMPUTER SIMULATION; MODELS, CHEMICAL; MODELS, MOLECULAR; QUANTUM THEORY;

EID: 33846196213     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2423008     Document Type: Article

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