Electronic level alignment at a metal-molecule interface from a short-range hybrid functional

Journal of Chemical Physics

Volumn 135, Issue 16, 2011, Pages

  Biller, Ariel ^a   Tamblyn, Isaac ^b   Neaton, Jeffrey B ^b   Kronik, Leeor ^a  

^a WEIZMANN INSTITUTE OF SCIENCE   (Israel)

^b LAWRENCE BERKELEY NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRONIC LEVELS; EXCHANGE AND CORRELATION; FUNCTIONALS; GW APPROXIMATION; HYBRID FUNCTIONALS; MANY BODY PERTURBATION THEORY; METAL-MOLECULE INTERFACE; METAL-ORGANIC INTERFACE; ORGANIC MATERIALS; RENORMALIZATION;

BENZENE; DENSITY FUNCTIONAL THEORY; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; INTERFACES (MATERIALS); METALS; PERTURBATION TECHNIQUES;

HYBRID MATERIALS;

EID: 80555154074     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3655357     Document Type: Article

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