Physical interpretation and evaluation of the Kohn-Sham and Dyson components of the ε-I relations between the Kohn-Sham orbital energies and the ionization potentials

Journal of Chemical Physics

Volumn 119, Issue 4, 2003, Pages 1937-1950

  Gritsenko, O V ^a   Braida B ^a,b,c   Baerends, E J ^a  

^a VU UNIVERSITY AMSTERDAM   (Netherlands)

^b UNIVERSITÉ PARIS SUD   (France)

^c INSTITUT DE CIÈNCIA DE MATERIALS DE BARCELONA ICMAB CSIC   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

CARRIER CONCENTRATION; EIGENVALUES AND EIGENFUNCTIONS; ELECTRONIC STRUCTURE; HAMILTONIANS; INTEGRATION; IONIZATION; KINETIC ENERGY; MOLECULES; PARTIAL DIFFERENTIAL EQUATIONS; POTENTIAL ENERGY; PROBABILITY; SPECTROSCOPY;

DENSITY FUNCTIONAL THEORY; ELECTRON-SHELL STEP STRUCTURE; KOHN-SHAM ORBITAL ENERGY; PHOTOELECTRONS; VERTICAL IONIZATION POTENTIALS;

ELECTRON ENERGY LEVELS;

EID: 0042709254     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1582839     Document Type: Article

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