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Volumn 116, Issue 19, 2002, Pages 8255-8261
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A black-box self-consistent field convergence algorithm: One step closer
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Author keywords
[No Author keywords available]
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Indexed keywords
ALGORITHMS;
CONSTRAINT THEORY;
CONVERGENCE OF NUMERICAL METHODS;
DAMPING;
DATA ACQUISITION;
EIGENVALUES AND EIGENFUNCTIONS;
FERMI LEVEL;
FRACTIONATION;
GROUND STATE;
HAMILTONIANS;
INTERPOLATION;
ITERATIVE METHODS;
LAGRANGE MULTIPLIERS;
MOLECULAR STRUCTURE;
OPTIMIZATION;
PROBABILITY DENSITY FUNCTION;
ORBITAL ROTATIONS;
QUANTUM CHEMISTRY;
QUANTUM THEORY;
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EID: 0037088353
PISSN: 00219606
EISSN: None
Source Type: Journal
DOI: 10.1063/1.1470195 Document Type: Article |
Times cited : (258)
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References (19)
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