Using the electron localization function to correct for confinement physics in semi-local density functional theory

Journal of Chemical Physics

Volumn 140, Issue 18, 2014, Pages

  Hao, Feng ^a   Armiento, Rickard ^b   Mattsson, Ann E ^a  

^a SANDIA NATIONAL LABORATORIES   (United States)

^b LINKÖPING UNIVERSITY   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORY; OSCILLATORS (MECHANICAL);

CONFINEMENT PHYSICS; ELECTRON CONFINEMENT; ELECTRON LOCALIZATION FUNCTION; EXCHANGE FUNCTIONAL; HARMONIC OSCILLATOR MODEL; HARMONIC OSCILLATORS; LOCALIZED ELECTRONS; UNIFORM ELECTRON GAS;

ELECTRON GAS;

EID: 84904801507     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4871738     Document Type: Article

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