Validation of double-hybrid density functionals for electric response properties of transition-metal systems: A new paradigm based on physical considerations

Journal of Physical Chemistry A

Volumn 117, Issue 13, 2013, Pages 2884-2890

  Alipour, Mojtaba ^a  

^a SHIRAZ UNIVERSITY   (Iran)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL APPROXIMATIONS; DENSITY FUNCTIONALS; ELECTRONIC STRUCTURE CALCULATIONS; EXCHANGE AND CORRELATION; GENERALIZED GRADIENT APPROXIMATIONS; MAIN-GROUP ELEMENTS; RESPONSE PROPERTIES; STATIC DIPOLE POLARIZABILITIES;

CALCULATIONS; DENSITY FUNCTIONAL THEORY; EIGENVALUES AND EIGENFUNCTIONS; ELECTRONIC STRUCTURE; MOLECULES; QUANTUM CHEMISTRY; TRANSITION METALS;

ELECTRIC PROPERTIES;

EID: 84875846057     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp4016596     Document Type: Article

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