Large-scale semidefinite programs in electronic structure calculation

Mathematical Programming

Volumn 109, Issue 2-3, 2007, Pages 553-580

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

^a TOKYO INSTITUTE OF TECHNOLOGY   (Japan)

^b EMORY UNIVERSITY   (United States)

^c UNIVERSITY OF TOKYO   (Japan)

^d POLYTECHNIC UNIVERSITY   (United States)

^e NEW YORK UNIVERSITY   (United States)

^f KANAGAWA UNIVERSITY   (Japan)

^g LAWRENCE BERKELEY NATIONAL LABORATORY   (United States)

Author keywords

Computational chemistry; Large scale optimization; N representability; Parallel computation; Reduced density matrix; Semidefinite programming relaxation

Indexed keywords

COMPUTATIONAL METHODS; ELECTRONIC STRUCTURE; GROUND STATE; MATHEMATICAL PROGRAMMING; MOLECULAR STRUCTURE; NUMERICAL METHODS; PARALLEL PROCESSING SYSTEMS;

COMPUTATIONAL CHEMISTRY; LARGE-SCALE OPTIMIZATION; N-REPRESENTABILITY; PARALLEL COMPUTATION; REDUCED DENSITY MATRIX; SEMIDEFINITE PROGRAMMING RELAXATION;

PHYSICAL CHEMISTRY;

EID: 33846664572     PISSN: 00255610     EISSN: 14364646     Source Type: Journal    
DOI: 10.1007/s10107-006-0027-y     Document Type: Conference Paper

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