U-calculation of the LSDA+U functional using the hybrid B3LYP and HSE functionals

Physica Status Solidi (B) Basic Research

Volumn 250, Issue 2, 2013, Pages 356-363

  Andriotis, Antonis N ^a   Mpourmpakis, Giannis ^a   Lisenkov, Sergey ^b   Sheetz, R Michael ^c   Menon, Madhu ^c  

^a INSTITUTE OF ELECTRONIC STRUCTURE AND LASER   (Greece)

^b UNIVERSITY OF SOUTH FLORIDA   (United States)

^c UNIVERSITY OF KENTUCKY   (United States)

Author keywords

Band gap; Density functional theory; Electronic band structure; Generalized gradient approximation; Hubbard U approximation

Indexed keywords

CALCULATIONS; ENERGY GAP;

AB INITIO CALCULATIONS; ELECTRONIC BAND STRUCTURE; EXCITATION SPECTRUM; FUNCTIONALS; GENERALIZED GRADIENT APPROXIMATIONS; HUBBARD; SPECTRAL FEATURE; SPIN-POLARIZED;

DENSITY FUNCTIONAL THEORY;

EID: 84873501336     PISSN: 03701972     EISSN: 15213951     Source Type: Journal    
DOI: 10.1002/pssb.201248215     Document Type: Article

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