Hyper-generalized-gradient functionals constructed from the Lieb-Oxford bound: Implementation via local hybrids and thermochemical assessment

Journal of Chemical Physics

Volumn 136, Issue 18, 2012, Pages

  Haunschild, Robin ^a   Odashima, Mariana M ^b   Scuseria, Gustavo E ^a,c   Perdew, John P ^d   Capelle, K ^e  

^a RICE UNIVERSITY   (United States)

^b MAX PLANCK INSTITUTE OF MICROSTRUCTURE PHYSICS   (Germany)

^c KING ABDULAZIZ UNIVERSITY   (Saudi Arabia)

^d Tulane University   (United States)

^e UNIVERSIDADE FEDERAL DO ABC   (Brazil)

Author keywords

[No Author keywords available]

Indexed keywords

CORRELATION ENERGY; DENSITY FUNCTIONALS; EMPIRICAL PARAMETERS; ENERGY DENSITY; ENTHALPIES OF FORMATION; EXACT EXCHANGE; EXCHANGE-CORRELATIONS; FUNCTIONALS; NONLOCAL FUNCTIONALS; TEST SETS; TOTAL ENERGY;

PHYSICS;

PHYSICAL CHEMISTRY;

EID: 84862905414     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4712017     Document Type: Article

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