Generalised adiabatic connection in ensemble density-functional theory for excited states: Example of the H2molecule

Molecular Physics

Volumn 112, Issue 12, 2014, Pages 1684-1701

  Franck, Odile ^a   Fromager, Emmanuel ^a  

^a UNIVERSITÉ DE STRASBOURG   (France)

Author keywords

adiabatic connection; ensemble density functional theory; excited states; multiple excitations; range separation

Indexed keywords

DENSITY FUNCTIONAL THEORY;

ADIABATIC CONNECTION; DENSITY FUNCTIONAL APPROXIMATIONS; DENSITY FUNCTIONALS; EXCHANGE CORRELATION ENERGY; EXCHANGE-CORRELATIONS; INTERACTION STRENGTH; MULTIPLE EXCITATIONS; STRINGENT CONSTRAINTS;

EXCITED STATES;

EID: 84901838683     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268976.2013.858191     Document Type: Article

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