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Self-consistent generalized Kohn-Sham local hybrid functionals of screened exchange: Combining local and range-separated hybridization

We present local hybrid functionals that incorporate a position-dependent admixture of short-range (screened) nonlocal exact [Hartree-Fock-type (HF)] exchange. We test two limiting cases: screened local hybrids with no long-range HF exchange and long-range-corrected local hybrids with 100% long-rang...

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Main Authors: Janesko, Benjamin G., Krukau, Aliaksandr V., Scuseria, Gustavo E.
格式: Artigo
語言:Inglês
出版: American Institute of Physics 2008
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在線閱讀:https://ncbi.nlm.nih.gov/pmc/articles/PMC2755342/
https://ncbi.nlm.nih.gov/pubmed/19045009
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.2980056
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