Ionization potentials and electron affinities in the Perdew-Zunger self-interaction corrected density-functional theory

Journal of Chemical Physics

Volumn 122, Issue 18, 2005, Pages

  Vydrov, Oleg A ^a   Scuseria, Gustavo E ^a  

^a RICE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORY; ELECTRON AFFINITIES; ORBITAL ENERGIES; SELF-CONSISTENT FIELD (SCF);

APPROXIMATION THEORY; CORRELATION METHODS; EIGENVALUES AND EIGENFUNCTIONS; ELECTRONS; ELECTROSTATICS; ERROR ANALYSIS; FUNCTIONS; HAMILTONIANS; INTEGRATION; IONIZATION; PROBABILITY DENSITY FUNCTION;

MOLECULAR DYNAMICS;

EID: 18844417130     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1897378     Document Type: Article

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