An efficient self-consistent field method for large systems of weakly interacting components

Journal of Chemical Physics

Volumn 124, Issue 20, 2006, Pages

  Khaliullin, Rustam Z ^a   Head Gordon, Martin ^a,b   Bell, Alexis T ^a,b  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b LAWRENCE BERKELEY NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DIRECT INVERSION; INTERACTING COMPONENTS; MOLECULAR ORBITALS; SELF-CONSISTENT FIELD (SCF) DIAGONALIZATION;

ATOMIC PHYSICS; CONVERGENCE OF NUMERICAL METHODS; EQUATIONS OF STATE; ITERATIVE METHODS; MOLECULAR PHYSICS; PERTURBATION TECHNIQUES; SET THEORY;

MOLECULAR DYNAMICS;

EID: 34547554682     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2191500     Document Type: Article

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