Résultat(s) 1 - 18 résultats de 18 pour la requête 'Hirao, Kimihiko', Temps de recherche: 1,48s Affiner les résultats
  1. 1
    The verification of delta SCF and Slater's transition state theory for the calculation of core ionization energy

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  2. 2
    Excitation energies expressed as orbital energies of Kohn-Sham density functional theory with long-range corrected functionals

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  3. 3
    Accelerated long-range corrected exchange functional using a two-gaussian operator combined with one-parameter progressive correlation functional [LC-BOP(2Gau)
    Autres auteurs: “...Hirao, Kimihiko...”

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  4. 4
    The reHISS Three-Range Exchange Functional with an Optimal Variation of Hartree-Fock and Its Use in the reHISSB-D Density Functional Theory Method
    Autres auteurs: “...Hirao, Kimihiko...”

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  5. 5
    Correlation functional in screened-exchange density functional theory procedures
    Autres auteurs: “...Hirao, Kimihiko...”

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  6. 6
    Performance of the OP correlation functional in relation to its formulation Influence of the exchange component and the effect of incorporating same-spin correlations
    Autres auteurs: “...Hirao, Kimihiko...”

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  7. 7
    Toward the complete range separation of non-hybrid exchange-correlation functional
    Autres auteurs: “...Hirao, Kimihiko...”

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  8. 8
    Long-range corrected density functionals combined with local response dispersion A promising method for weak interactions
    Autres auteurs: “...Hirao, Kimihiko...”

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  9. 9
    Long-range corrected functionals satisfy Koopmans' theorem calculation of correlation and relaxation energies
    Autres auteurs: “...Hirao, Kimihiko...”

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  10. 10
    A semiempirical long-range corrected exchange correlation functional including a short-range Gaussian attenuation (LCgau-B97)
    Autres auteurs: “...Hirao, Kimihiko...”

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  11. 11
    Modified regional self-interaction corrected time-dependent density functional theory for core excited-state calculations
    Autres auteurs: “...Hirao, Kimihiko...”

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  12. 12
    A dual-level state-specific time-dependent density-functional theory
    Autres auteurs: “...Hirao, Kimihiko...”
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  13. 13
    Acetalization and thioacetalization of cabonyl compounds a case study based on global and local electrophilicity descriptors
    Autres auteurs: “...Hirao, Kimihiko...”
    Article

  14. 14
    Multireference perturbation theory with optimized partitioning. II. Applications to molecular systems
    Autres auteurs: “...Hirao, Kimihiko...”
    Article

  15. 15
    Regional self-interaction correction of density functional theory
    Autres auteurs: “...Hirao, Kimihiko...”
    Article

  16. 16
    Intruder state avoidance multireference Møller-Plesset perturbation theory
    Autres auteurs: “...Hirao, Kimihiko...”
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  17. 17
    Quasi-degenerate perturbation theory with general multiconfiguration self-consistent field reference functions
    Autres auteurs: “...Hirao, Kimihiko...”
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  18. 18
    Relativistic electronic structure theory
    Autres auteurs: “...Hirao, Kimihiko...”
    Article

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