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Journal of Chemical Physics

Volumn 122, Issue 14, 2005, Pages

Appraisal of the performance of nonhybrid density functional methods in characterization of the Al 4 C molecule

(2) Zubarev, Dmitry Yu a Boldyrev, Alexander I a

a UTAH STATE UNIVERSITY (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORY (DFT); HARTREE-FOCK FUNCTIONS; KOHN-SHAM EQUATION; MOLECULAR ORBITALS;

GENETIC ALGORITHMS; LATTICE CONSTANTS; PERTURBATION TECHNIQUES; POTENTIAL ENERGY; PROBABILITY DENSITY FUNCTION; VIBRATIONS (MECHANICAL);

ALUMINUM COMPOUNDS;

EID: 20844458851 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.1873532 Document Type: Article

Times cited : (18)

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