Communication: Avoiding unbound anions in density functional calculations

Journal of Chemical Physics

Volumn 134, Issue 17, 2011, Pages

  Kim, Min Cheol ^a   Sim, Eunji ^a   Burke, Kieron ^b  

^a Yonsei University   (South Korea)

^b UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BASIS SETS; DENSITY FUNCTIONALS; DENSITY-FUNCTIONAL CALCULATIONS; HARTREE-FOCK CALCULATIONS; HOMO ENERGIES; SELF-INTERACTION ERROR; SPIN CONTAMINATION; TOTAL ENERGY DIFFERENCES;

DENSITY FUNCTIONAL THEORY; MOLECULAR PHYSICS;

NEGATIVE IONS;

ANION;

ARTICLE; CHEMISTRY; ELECTRON; QUANTUM THEORY;

ANIONS; ELECTRONS; QUANTUM THEORY;

EID: 79957450163     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3590364     Document Type: Article

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