The screened pseudo-charge repulsive potential in perturbed orbitals for band calculations by DFT+U.

scientific article published on 6 March 2017

The screened pseudo-charge repulsive potential in perturbed orbitals for band calculations by DFT+U. is …
instance of (P31):
scholarly articleQ13442814

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P356DOI10.1039/C7CP00025A
P698PubMed publication ID28263327

P50authorBolong HuangQ60061615
P2093author name stringBolong Huang
P2860cites workEffects of cationdstates on the structural and electronic properties of III-nitride and II-oxide wide-band-gap semiconductorsQ56424269
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The Importance of Short- and Long-Range Exchange on Various Excited State Properties of DNA Monomers, Stacked Complexes, and Watson-Crick PairsQ46318247
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Density functional theory in transition-metal chemistry: a self-consistent Hubbard U approachQ51122974
Energy band gaps and lattice parameters evaluated with the Heyd-Scuseria-Ernzerhof screened hybrid functional.Q51631769
Native point defects in ZnOQ56424226
P433issue11
P407language of work or nameEnglishQ1860
P304page(s)8008-8025
P577publication date2017-03-01
P1433published inPhysical Chemistry Chemical PhysicsQ3018671
P1476titleThe screened pseudo-charge repulsive potential in perturbed orbitals for band calculations by DFT+U
P478volume19