Increasing the applicability of density functional theory. IV. Consequences of ionization-potential improved exchange-correlation potentials

Journal of Chemical Physics

Volumn 140, Issue 18, 2014, Pages

  Verma, Prakash ^a   Bartlett, Rodney J ^a  

^a UNIVERSITY OF FLORIDA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORY; EIGENVALUES AND EIGENFUNCTIONS; MOLECULES;

BARRIER HEIGHTS; COMPUTATIONAL EFFORT; ELECTRON IONIZATION; EQUILIBRIUM GEOMETRIES; EXCHANGE-CORRELATION POTENTIAL; MEAN ABSOLUTE ERROR; OPTIMIZED EFFECTIVE POTENTIAL; VERTICAL IONIZATION POTENTIALS;

IONIZATION POTENTIAL;

EID: 84904793887     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4871409     Document Type: Article

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