Orbital density functional as a means to restore the discontinuities in the total-energy derivative and the exchange-correlation potential

Journal of Physics Condensed Matter

Volumn 19, Issue 10, 2007, Pages

  Anisimov, V I ^a   Kozhevnikov, A V ^a   Korotin, M A ^a   Lukoyanov, A V ^b   Khafizullin, D A ^b  

^a INSTITUTE OF METAL PHYSICS   (Russian Federation)

^b URAL FEDERAL UNIVERSITY   (Russian Federation)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; HAMILTONIANS; INTEGER PROGRAMMING; MONTE CARLO METHODS; OPTIMIZATION; QUANTUM THEORY;

LOCAL DENSITY APPROXIMATION (LDA); METAL-INSULATOR TRANSITION; ORBITAL DENSITY FUNCTIONAL (ODF);

DENSITY FUNCTIONAL THEORY;

EID: 33947619102     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/19/10/106206     Document Type: Article

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