Globally convergent trust-region methods for self-consistent field electronic structure calculations

Journal of Chemical Physics

Volumn 121, Issue 22, 2004, Pages 10863-10878

  Francisco, Juliano B ^a   Martínez, José Mario ^a   Martinez, Leandro ^a  

^a UNIVERSITY OF CAMPINAS   (Brazil)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; BOUNDARY VALUE PROBLEMS; ELECTRONIC STRUCTURE; ITERATIVE METHODS; MATRIX ALGEBRA; OPTIMIZATION; RELIABILITY; SET THEORY; THEOREM PROVING;

DIAGONALIZATION; HARTREE-FOCK CALCULATIONS; LEVEL-SHIFT METHOD; QUANTUM CHEMISTRY;

QUANTUM THEORY;

EID: 11144259264     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1814935     Document Type: Article

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