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Journal of Chemical Physics

Volumn 114, Issue 24, 2001, Pages 10616-10622

Self-consistent field algorithms for Kohn-Sham models with fractional occupation numbers

(1) Cances E a

a UNIVERSITÉ PARIS EST (France)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; APPROXIMATION THEORY; CONVERGENCE OF NUMERICAL METHODS; ELECTRON TRANSITIONS; ELECTRONIC STRUCTURE; ITERATIVE METHODS; KINETIC ENERGY; LAGRANGE MULTIPLIERS; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY; WAVE EQUATIONS;

FRACTIONAL OCCUPATION NUMBERS; RELAXED CONSTRAINT ALGORITHMS (RCA); WAVE FUNCTIONS;

GROUND STATE;

EID: 0035933396 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.1373430 Document Type: Article

Times cited : (81)

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