Ground- and excited-state diatomic bond lengths, vibrational levels, and potential-energy curves from conventional and localized Hartree-Fock-based density-functional theory

Journal of Chemical Physics

Volumn 122, Issue 3, 2005, Pages

  Teale, Andrew M ^a   Tozer, David J ^a  

^a DURHAM UNIVERSITY   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; CHEMICAL BONDS; ERROR ANALYSIS; GROUND STATE; PROBABILITY DENSITY FUNCTION;

EXCITED STATE; GENERALIZED GRADIENT APPROXIMATION (GGA); POTENTIAL-ENERGY CURVES; VIBRATIONAL WAVENUMBERS;

POTENTIAL ENERGY;

EID: 22944458590     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1824892     Document Type: Article

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