Analysis of the Heyd-Scuseria-Ernzerhof density functional parameter space

Journal of Chemical Physics

Volumn 136, Issue 20, 2012, Pages

  Moussa, Jonathan E ^a   Schultz, Peter A ^a   Chelikowsky, James R ^b  

^a SANDIA NATIONAL LABORATORIES   (United States)

^b UNIVERSITY OF TEXAS AT AUSTIN   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL COSTS; DENSITY FUNCTIONALS; EXCHANGE LENGTH; FUNCTIONALS; HYBRID FUNCTIONALS; LENGTH SCALE; PARAMETER SPACES; PERDEW-BURKE-ERNZERHOF; SCREENING LENGTHS; SEMICONDUCTOR BAND GAP; SEMILOCAL FUNCTIONALS; THREE PARAMETERS;

PHYSICAL CHEMISTRY; PHYSICS;

COST REDUCTION;

EID: 84862538703     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4722993     Document Type: Article

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