Gradient-corrected density-functional potential with correct asymptotic behavior: Application to interconfigurational energies in transition-metal atoms

Journal of Chemical Physics

Volumn 122, Issue 24, 2005, Pages

  Ren, Chung Yuan ^a  

^a Taipei Municipal Teachers College   (Taiwan)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRONS; GROUND STATE; IONIZATION; MATRIX ALGEBRA; MONTE CARLO METHODS; PERTURBATION TECHNIQUES; POTENTIAL ENERGY; PROBABILITY DENSITY FUNCTION;

DENSITY FUNCTION THEORY (DFT); INTERCONFIGURATIONAL ENERGIES; KOHN-SHAM (KS) EQUATIONS; LOCAL SPIN DENSITY (LSD);

TRANSITION METALS;

EID: 22544461636     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1938188     Document Type: Article

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