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Journal of Chemical Physics

Volumn 115, Issue 20, 2001, Pages 9233-9242

Hybrid exchange-correlation functional determined from thermochemical data and ab initio potentials

(3) Wilson, P J a Bradley, T J a Tozer, D J a

a DURHAM UNIVERSITY (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; ATOMS; CALCULATIONS; CARRIER CONCENTRATION; CHEMICAL REACTIONS; EIGENVALUES AND EIGENFUNCTIONS; ELECTRON ENERGY LEVELS; ITERATIVE METHODS; LAGRANGE MULTIPLIERS; MOLECULAR STRUCTURE; OPTIMIZATION; PROBABILITY DENSITY FUNCTION;

HYBRID EXCHANGE-CORRELATION FUNCTIONAL; KOHN-SHAM EQUATION; OPTIMIZED EFFECTIVE POTENTIAL; THERMOCHEMISTRY;

ELECTRONIC STRUCTURE;

EID: 0035935994 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.1412605 Document Type: Article

Times cited : (513)

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