Spin-dependent gradient correction for more accurate atomization energies of molecules

Journal of Chemical Physics

Volumn 137, Issue 19, 2012, Pages

  Constantin, Lucian A ^a   Fabiano, Eduardo ^b   Sala, Fabio Della ^a,b  

^a ISTITUTO ITALIANO DI TECNOLOGIA   (Italy)

^b NATIONAL NANOTECHNOLOGY LABORATORY   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIZATION ENERGIES; DENSITY PARAMETERS; DYNAMICAL CORRELATIONS; EXACT EXCHANGE; EXCHANGE-CORRELATIONS; FUNCTIONALS; GENERALIZED GRADIENT APPROXIMATIONS; MOLECULAR SYSTEMS; SMALL MOLECULES; STATISTICAL ENSEMBLES;

BINDING ENERGY; MOLECULES;

ATOMIZATION;

ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; COMPUTER SIMULATION; SPIN LABELING;

COMPUTER SIMULATION; MODELS, CHEMICAL; MODELS, MOLECULAR; SPIN LABELS;

EID: 84870223997     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4766324     Document Type: Article

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