Cholesky decomposition-based definition of atomic subsystems in electronic structure calculations

Journal of Chemical Physics

Volumn 132, Issue 20, 2010, Pages

  Sánchez De Merás, Alfredo M J ^a   Koch, Henrik ^b   Cuesta, Inmaculada García ^a   Boman, Linus ^b  

^a UNIVERSITY OF VALENCIA   (Spain)

^b NORWEGIAN UNIVERSITY OF SCIENCE AND TECHNOLOGY   (Norway)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVE SPACES; ATOMIC SUBSYSTEMS; CCSD; CHOLESKY DECOMPOSITION; ELECTRONIC STRUCTURE CALCULATIONS; HARTREE-FOCK; HARTREE-FOCK CALCULATIONS; MATRIX; MOLECULAR PROPERTIES; ONE-ELECTRON DENSITY MATRIX; PSEUDO-DENSITY;

CHEMICAL BONDS; DECOMPOSITION; ELECTRONIC STRUCTURE; MOLECULAR ORBITALS;

SURFACE STRUCTURE;

EID: 77953035615     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3431622     Document Type: Article

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