A systematic benchmark of the ab initio Bethe-Salpeter equation approach for low-lying optical excitations of small organic molecules

Journal of Chemical Physics

Volumn 142, Issue 24, 2015, Pages

  Bruneval, Fabien ^a,b,c   Hamed, Samia M ^b,c,d   Neaton, Jeffrey B ^b,c,d  

^a SERVICE DE RECHERCHES DE MÉTALLURGIE PHYSIQUE   (France)

^b LAWRENCE BERKELEY NATIONAL LABORATORY   (United States)

^c UNIVERSITY OF CALIFORNIA   (United States)

^d Kavli Energy Nanosciences Institute at Berkeley   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BENCHMARKING; COMPUTATION THEORY; MOLECULES;

BETHE-SALPETER EQUATION; ELECTRONIC EXCITATION; PERTURBATIVE APPROACH; QUANTITATIVE AGREEMENT; QUASIPARTICLE ENERGY; SMALL ORGANIC MOLECULES; TIME DEPENDENT DENSITY FUNCTIONAL THEORY; WAVE FUNCTION METHOD;

DENSITY FUNCTIONAL THEORY;

EID: 84932156561     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4922489     Document Type: Article

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