Simple Hamiltonians which exhibit drastic failures by variational determination of the two-particle reduced density matrix with some well known N -representability conditions

Journal of Chemical Physics

Volumn 125, Issue 24, 2006, Pages

  Nakata, Maho ^a   Braams, Bastiaan J ^b   Fukuda, Mituhiro ^c   Percus, Jerome K ^d   Yamashita, Makoto ^e   Zhao, Zhengji ^f  

^a UNIVERSITY OF TOKYO   (Japan)

^b EMORY UNIVERSITY   (United States)

^c TOKYO INSTITUTE OF TECHNOLOGY   (Japan)

^d POLYTECHNIC UNIVERSITY   (United States)

^e KANAGAWA UNIVERSITY   (Japan)

^f LAWRENCE BERKELEY NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

MOLECULAR SYSTEMS; TWO-PARTICLE REDUCED DENSITY MATRIX (2-RDM); WAVE FUNCTIONS;

GROUND STATE; MOLECULAR PHYSICS; QUANTUM THEORY;

HAMILTONIANS;

EID: 33846088391     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2406073     Document Type: Article

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