Self-interaction error of local density functionals for alkali-halide dissociation

Chemical Physics Letters

Volumn 422, Issue 1-3, 2006, Pages 230-233

  Dutoi, Anthony D ^a,b   Head Gordon, Martin ^a,b  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b LAWRENCE BERKELEY NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; DIMERS; DISSOCIATION; ELECTRONS; NUCLEAR ENERGY; POSITIVE IONS;

ATOMIC ENERGIES; CATION-DIMER PARADIGM; SELF-INTERACTION ERROR;

ALKALI METAL COMPOUNDS;

EID: 33646029966     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2006.02.025     Document Type: Article

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