Parallel, linear-scaling building-block and embedding method based on localized orbitals and orbital-specific basis sets

Journal of Chemical Physics

Volumn 121, Issue 14, 2004, Pages 6698-6709

  Seijo, Luis ^a   Barandiarán, Zoila ^a  

^a UNIVERSIDAD AUTÓNOMA DE MADRID   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; CARBON MONOXIDE; CARRIER CONCENTRATION; COMPUTATIONAL METHODS; CONVERGENCE OF NUMERICAL METHODS; EIGENVALUES AND EIGENFUNCTIONS; HAMILTONIANS; ITERATIVE METHODS; MATHEMATICAL OPERATORS; MATRIX ALGEBRA; POLYETHYLENE OXIDES;

ENERGY MINIMIZATION; LINEAR SCALING METHOD; LOCALIZED ORBITALS; MOLECULAR ORBITALS;

ELECTRONIC STRUCTURE;

EID: 7544238293     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1786911     Document Type: Article

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