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Résultat(s) 1 - 5 résultats de 5 pour la requête '"double-hybrid density functional"', Temps de recherche: 2,87s Affiner les résultats
  1. 1
    Application to nonlinear optical properties of the RSX-QIDH double-hybrid range-separated functional
    Sujets: “...misc double‐hybrid density functionals...”

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  2. 2
    Global double hybrids do not work for charge transfer A comment on "Double hybrids and time-dependent density functional theory: An implementation and benchmark on charge transfer excited states"
    Sujets: “...misc double-hybrid density functionals...”

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  3. 3
    Assessing challenging intra- and inter-molecular charge-transfer excitations energies with double-hybrid density functionals
    Sujets: “...misc double-hybrid density functional...”

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  4. 4
    Halogen bonding with the halogenabenzene bird structure, halobenzene, and halocyclopentadiene
    Sujets: “...misc double hybrid density functional theory...”

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  5. 5
    Determining the role of the underlying orbital-dependence of PBE0-DH and PBE-QIDH double-hybrid density functionals
    Sujets: “...misc double-hybrid density functionals...”

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