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Journal of Chemical Physics

Volumn 131, Issue 3, 2009, Pages

Exchange and correlation in molecular wire conductance: Nonlocality is the key

(3) Evans, Jeremy S a Vydrov, Oleg A a Van Voorhis, Troy a

a MASSACHUSETTS INSTITUTE OF TECHNOLOGY (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACCURATE PREDICTION; CHARGE TRANSPORT; DENSITY FUNCTIONALS; DOMINANT FACTOR; ELECTRON DYNAMICS; EXCHANGE AND CORRELATION; GENERATOR COORDINATES; HARTREE-FOCK EXCHANGES; MODEL HAMILTONIANS; MODEL SPACES; MOLECULAR JUNCTION; MOLECULAR WIRES; NON-LOCAL EXCHANGE; NONLOCAL CORRELATIONS; NONLOCALITY; SIGNIFICANT IMPACTS; TRANSPORT BEHAVIOR; TRANSPORT CALCULATION;

ELECTRONIC STRUCTURE; INTERNET PROTOCOLS; SIMULATORS;

CORRELATION METHODS;

EID: 67651152972 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.3179754 Document Type: Article

Times cited : (19)

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