Generalization of dielectric-Dependent hybrid functionals to finite systems

Physical Review X

Volumn 6, Issue 4, 2016, Pages 041002-

  Brawand, Nicholas P ^a   Vörös, Márton ^a,b   Govoni, Marco ^a,b   Galli, Giulia ^a,b  

^a UNIVERSITY OF CHICAGO   (United States)

^b ARGONNE NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

IONIZATION; IONIZATION POTENTIAL; MOLECULES; OPTICAL PROPERTIES;

ACCURATE PREDICTION; DONOR-ACCEPTOR SYSTEM; ELECTRONIC AND OPTICAL PROPERTIES; HYBRID FUNCTIONAL; HYBRID FUNCTIONALS; INORGANIC MOLECULES; MOLECULAR SYSTEMS; SEMICONDUCTING NANOCRYSTALS;

DENSITY FUNCTIONAL THEORY;

EID: 85008234770     PISSN: None     EISSN: 21603308     Source Type: Journal    
DOI: 10.1103/PhysRevX.6.041002     Document Type: Article

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