Density matrix purification with rigorous error control

Journal of Chemical Physics

Volumn 128, Issue 7, 2008, Pages

  Rubensson, Emanuel H ^a   Rudberg, Elias ^a   Sałek, Paweł ^a  

^a ROYAL INSTITUTE OF TECHNOLOGY   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

EIGENVALUES AND EIGENFUNCTIONS; ERROR ANALYSIS; PROBLEM SOLVING;

CANONICAL ANGLES; DENSITY MATRIX PURIFICATION; FORWARD ERROR; LINEAR SCALING CONSTRUCTION;

ELECTRONIC STRUCTURE;

ALGORITHM; ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; COMPUTER SIMULATION; REPRODUCIBILITY; SENSITIVITY AND SPECIFICITY;

ALGORITHMS; COMPUTER SIMULATION; MODELS, CHEMICAL; MODELS, MOLECULAR; REPRODUCIBILITY OF RESULTS; SENSITIVITY AND SPECIFICITY;

EID: 39749201822     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2826343     Document Type: Article

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