The extended Koopmans' theorem: Vertical ionization potentials from natural orbital functional theory

Journal of Chemical Physics

Volumn 136, Issue 17, 2012, Pages

  Piris, Mario ^a,b   Matxain, Jon M ^a   Lopez, Xabier ^a   Ugalde, Jesus M ^a  

^a UNIVERSITY OF THE BASQUE COUNTRY UPV EHU   (Spain)

^b BASQUE FOUNDATION FOR SCIENCE   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

ANIONIC SPECIES; BASIS SETS; BASIS-SET LIMITS; EXPERIMENT VALUES; EXPERIMENTAL DATA; MEAN ABSOLUTE ERROR; NATURAL ORBITAL FUNCTIONAL; NEUTRAL RADICAL; PIRIS NATURAL ORBITAL FUNCTIONAL;

PHYSICAL CHEMISTRY; PHYSICS;

IONIZATION POTENTIAL;

EID: 84862838193     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4709769     Document Type: Article

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