Energies of organic molecules and atoms in density functional theory

International Journal of Quantum Chemistry

Volumn 101, Issue 5, 2005, Pages 506-511

  Csonka, Gábor I ^a   Ruzsinszky, Adrienn ^a   Tao, Jianmin ^b   Perdew, John P ^b  

^a BUDAPEST UNIVERSITY OF TECHNOLOGY AND ECONOMICS   (Hungary)

^b Tulane University   (United States)

Author keywords

Density functional; Enthalpies of formation; Exchange correlation energy; Meta generalized gradient approximations; Molecular atomization energies

Indexed keywords

ATOMIZATION; ATOMS; ENTHALPY; KINETIC ENERGY; LEAST SQUARES APPROXIMATIONS; MACROMOLECULES;

DENSITY FUNCTIONAL; ENTHALPIES OF FORMATION; EXCHANGE-CORRELATION ENERGY; META-GENERALIZED GRADIENT APPROXIMATIONS; MOLECULAR ATOMIZATION ENERGIES;

PROBABILITY DENSITY FUNCTION;

EID: 13844256904     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.20305     Document Type: Conference Paper

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