Advances in local hybrid exchange-correlation functionals: From thermochemistry to magnetic-resonance parameters and hyperpolarizabilities

International Journal of Quantum Chemistry

Volumn 111, Issue 11, 2011, Pages 2625-2638

  Arbuznikov, Alexei V ^a   Kaupp, Martin ^a  

^a UNIVERSITY OF WÜRZBURG   (Germany)

Author keywords

hyper polarizabilities; Local hybrid functionals; localized local hybrid potentials; nondynamical correlation model; occupied orbital dependent functional; polarizabilities

Indexed keywords

HYPER-POLARIZABILITIES; LOCAL HYBRID FUNCTIONALS; LOCALIZED-LOCAL HYBRID POTENTIALS; NONDYNAMICAL CORRELATION; OCCUPIED-ORBITAL-DEPENDENT FUNCTIONAL; POLARIZABILITIES;

CALCULATIONS; INERT GASES; MAGNETIC PROPERTIES; MAGNETIC RESONANCE; THERMOCHEMISTRY;

BEHAVIORAL RESEARCH;

EID: 79955817205     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.22721     Document Type: Article

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