Résultat(s) 1 - 6 résultats de 6 pour la requête 'Goerigk, Lars', Temps de recherche: 1,93s Affiner les résultats
  1. 1
    How do spin-scaled double hybrids designed for excitation energies perform for noncovalent excited-state interactions? An investigation on aromatic excimer models
    Autres auteurs: “...Goerigk, Lars...”

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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"
    Autres auteurs: “...Goerigk, Lars...”

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  3. 3
    DFT-D4 counterparts of leading meta-generalized-gradient approximation and hybrid density functionals for energetics and geometries
    Autres auteurs: “...Goerigk, Lars...”

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  4. 4
    On the inclusion of post-MP2 contributions to double-hybrid density functionals
    Autres auteurs: “...Goerigk, Lars...”

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  5. 5
    Accurate reaction barrier heights of pericyclic reactions Surprisingly large deviations for the CBS-QB3 composite method and their consequences in DFT benchmark studies
    Autres auteurs: “...Goerigk, Lars...”

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  6. 6
    Effect of the damping function in dispersion corrected density functional theory
    Autres auteurs: “...Goerigk, Lars...”

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