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International Journal of Quantum Chemistry

Volumn 113, Issue 5, 2013, Pages 673-682

Testing the broad applicability of the PBEint GGA functional and its one-parameter hybrid form

(3) Fabiano, E a Constantin, Lucian A b Della Sala, F a,b

a NATIONAL NANOTECHNOLOGY LABORATORY (Italy)

b ISTITUTO ITALIANO DI TECNOLOGIA (Italy)

Author keywords

GGA functional; hybrid functional; metal molecule interface

Indexed keywords

GENERALIZED GRADIENT APPROXIMATIONS; GGA FUNCTIONAL; HARTREE-FOCK EXCHANGES; HYBRID FORMS; HYBRID FUNCTIONAL; HYBRID INTERFACE; METAL-MOLECULE INTERFACE; MODEL SYSTEM; SOLID-STATE SYSTEM; WORKING WELL;

DENSITY FUNCTIONAL THEORY;

MOLECULES;

EID: 84873096045 PISSN: 00207608 EISSN: 1097461X Source Type: Journal
DOI: 10.1002/qua.24042 Document Type: Conference Paper

Times cited : (34)

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