On Koopmans' theorem in density functional theory

Journal of Chemical Physics

Volumn 133, Issue 17, 2010, Pages

  Tsuneda, Takao ^a,b   Song, Jong Won ^a,b,c   Suzuki, Satoshi ^c   Hirao, Kimihiko ^a,b  

^a RIKEN   (Japan)

^b JAPAN SCIENCE AND TECHNOLOGY AGENCY   (Japan)

^c UNIVERSITY OF TOKYO   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

EXCHANGE FUNCTIONAL; FUNCTIONALS; HIGHEST OCCUPIED MOLECULAR ORBITAL; LOWEST UNOCCUPIED MOLECULAR ORBITAL; ORBITAL ENERGY; ORBITALS; POTENTIAL DERIVATIVES; REPRODUCIBILITIES; SELF-INTERACTIONS;

IONIZATION POTENTIAL; MOLECULAR MODELING; MOLECULAR ORBITALS; NEON;

DENSITY FUNCTIONAL THEORY;

EID: 78650632748     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3491272     Document Type: Article

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