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Volumn 318, Issue 2-3, 2002, Pages 121-139

Ab initio density functional theory calculations in the real space

a SCHLUMBERGER DOLL RESEARCH (United States)

Author keywords

Density functional theory; Local density approximation; Method of electronic structure calculations; Other methods; Total energy and cohesive energy calculations

Indexed keywords

APPROXIMATION THEORY; EIGENVALUES AND EIGENFUNCTIONS; ELECTRONIC STRUCTURE; GRADIENT METHODS; GROUND STATE; ITERATIVE METHODS; MATHEMATICAL OPERATORS; PROBABILITY DENSITY FUNCTION;

DENSITY FUNCTIONAL THEORY (DFT);

QUANTUM THEORY;

EID: 0036608662 PISSN: 09214526 EISSN: None Source Type: Journal
DOI: 10.1016/S0921-4526(02)00589-6 Document Type: Article

Times cited : (5)

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