Conclusive evidence on the insensitivity of additive rules to the combinational details of exchange and correlation functional in hybrid DFT methods

International Journal of Quantum Chemistry

Volumn 109, Issue 2, 2009, Pages 160-170

  Firouzi, Rohoullah ^a   Zahedi, Mansour ^a  

^a SHAHID BEHESHTI UNIVERSITY   (Iran)

Author keywords

Additive rule; Correlation functional; Density functional theory; Exchange functional; Nonoptimized functional

Indexed keywords

COMPUTATIONAL METHODS; CORRELATION METHODS; FUNCTIONS; PROBABILITY DENSITY FUNCTION;

ADDITIVE RULE; B3LYP METHODS; COMPUTATIONAL LEVELS; COMPUTATIONAL RESULTS; CORRELATION FUNCTIONAL; DFT METHODS; ELECTRONIC ENERGIES; EXCHANGE AND CORRELATIONS; EXCHANGE FUNCTIONAL; HYBRID FUNCTIONALS; ISOMERIZATION ENERGIES; NONOPTIMIZED FUNCTIONAL; TEST SETS;

DENSITY FUNCTIONAL THEORY;

EID: 58149247697     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.21714     Document Type: Article

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