Density functionals that are one- and two- are not always many-electron self-interaction-free, as shown for H2+, He2+, Li H+, and Ne2+

Journal of Chemical Physics

Volumn 126, Issue 10, 2007, Pages

  Ruzsinszky, Adrienn ^a   Perdew, John P ^a   Csonka, Gábor I ^b   Vydrov, Oleg A ^c   Scuseria, Gustavo E ^c  

^a Tulane University   (United States)

^b BUDAPEST UNIVERSITY OF TECHNOLOGY AND ECONOMICS   (Hungary)

^c RICE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORY; ERROR ANALYSIS; INTEGER PROGRAMMING; MOLECULAR DYNAMICS; POSITIVE IONS;

CORRELATION ENERGY; HARTREE-FOCK THEORY; MOLECULAR DISSOCIATION; NONINTEGER ELECTRON NUMBERS; SELF-INTERACTION CORRECTION (SIC);

ELECTRONS;

EID: 33947318633     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2566637     Document Type: Article

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