The reduced density matrix method for electronic structure calculations and the role of three-index representability conditions

Journal of Chemical Physics

Volumn 120, Issue 5, 2004, Pages 2095-2104

  Zhao, Zhengji ^a   Braams, Bastiaan J ^b,d   Fukuda, Mituhiro ^b   Overton, Michael L ^c   Percus, Jerome K ^b  

^a NEW YORK UNIVERSITY   (United States)

^b NEW YORK UNIVERSITY   (United States)

^c NONE   (United States)

^d EMORY UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; COMPUTATIONAL METHODS; ERROR ANALYSIS; GROUND STATE; MATRIX ALGEBRA; NUMERICAL METHODS; OPTIMIZATION; PERTURBATION TECHNIQUES; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY;

DIPOLE MOMENTS; DUAL FORMULATION; REDUCED DENSITY MATRIX (RDM) METHOD; SEMIDEFINITE PROGRAMMING;

ELECTRONIC STRUCTURE;

EID: 1442282174     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1636721     Document Type: Article

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