Search Results - Krukau, Aliaksandr V

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  1. 1
    Influence of the exchange screening parameter on the performance of screened hybrid functionals

    Influence of the exchange screening parameter on the performance of screened hybrid functionals by Krukau, Aliaksandr V, Vydrov, Oleg A, Izmaylov, Artur F, Scuseria, Gustavo E

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  2. 2
    Importance of short-range versus long-range Hartree-Fock exchange for the performance of hybrid density functionals

    Importance of short-range versus long-range Hartree-Fock exchange for the performance of hybrid density functionals by Vydrov, Oleg A, Heyd, Jochen, Krukau, Aliaksandr V, Scuseria, Gustavo E

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  3. 3
    QM:QM embedding using electronic densities within an ONIOM framework: Energies and analytic gradients

    QM:QM embedding using electronic densities within an ONIOM framework: Energies and analytic gradients by Hratchian, Hrant P., Krukau, Aliaksandr V., Parandekar, Priya V., Frisch, Michael J., Raghavachari, Krishnan

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  4. 4
    Hybrid functionals with local range separation

    Hybrid functionals with local range separation by Krukau, Aliaksandr V., Scuseria, Gustavo E., Perdew, John P., Savin, Andreas

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  5. 5
    Self-consistent generalized Kohn-Sham local hybrid functionals of screened exchange: Combining local and range-separated hybridization

    Self-consistent generalized Kohn-Sham local hybrid functionals of screened exchange: Combining local and range-separated hybridization by Janesko, Benjamin G., Krukau, Aliaksandr V., Scuseria, Gustavo E.

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  6. 6
    An impulsive stimulated scattering study of surface acoustic waves under high pressure

    An impulsive stimulated scattering study of surface acoustic waves under high pressure by Yamaguchi, Masashi, Baer, Bruce J, Krukau, Aliaksandr V, McIntire, Michael J, Flannery, Colm M, Chronister, Eric L

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  7. 7
    Erratum: "QM:QM embedding using electronic densities within an ONIOM framework: Energies and analytic gradients" [ J. Chem. Phys. 135 , 014105 ( 2011 )]

    Erratum: "QM:QM embedding using electronic densities within an ONIOM framework: Energies and analytic gradients" [ J. Chem. Phys. 135 , 014105 ( 2011 )] by Hratchian, Hrant P., Krukau, Aliaksandr V., Parandekar, Priya V., Frisch, Michael J., Raghavachari, Krishnan

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  8. 8
    Influence of the exchange screening parameter on the performanceof screened hybrid functionals

    Influence of the exchange screening parameter on the performanceof screened hybrid functionals by Krukau, Aliaksandr V., Vydrov, Oleg A., Izmaylov, Artur F., Scuseria, Gustavo E.

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  9. 9
    Importance of short-range versus long-range Hartree-Fock exchangefor the performance of hybrid density functionals

    Importance of short-range versus long-range Hartree-Fock exchangefor the performance of hybrid density functionals by Vydrov, Oleg A., Heyd, Jochen, Krukau, Aliaksandr V., Scuseria, Gustavo E.

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