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    Long-range corrected hybrid functionals for pi-conjugated systems: Dependence of the range-separation parameter on conjugation length 

    Koerzdoerfer, Thomas; Sears, John S.; Sutton, Christopher; Brédas, Jean-Luc (Georgia Institute of Technology, 2011-11)
    Long-range corrected hybrids represent an increasingly popular class of functionals for density functional theory (DFT) that have proven to be very successful for a wide range of chemical applications. In this Communication, ...

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    AuthorBrédas, Jean-Luc (1)Koerzdoerfer, Thomas (1)
    Sears, John S. (1)
    Sutton, Christopher (1)
    Subject
    Density functional theory (1)
    Eigenvalues and eigenfunctions (1)
    Ionisation potential (1)
    Organic compounds (1)
    SCF calculations (1)... View MoreDate Issued
    2011 (1)
    Has File(s)
    Yes (1)
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