Search Results - Shukruto, Olga A

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  1. 1
    Nonempirical generalized gradient approximation free-energy functional for orbital-free simulations

    Nonempirical generalized gradient approximation free-energy functional for orbital-free simulations by Karasiev, Valentin V., Chakraborty, Debajit, Shukruto, Olga A., Trickey, S. B.

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  2. 2
    Relativistic Dirac-Fock exchange and Breit interaction energy functionals based on the local-density approximation and the self-consistent multiplicative constant method

    Relativistic Dirac-Fock exchange and Breit interaction energy functionals based on the local-density approximation and the self-consistent multiplicative constant method by Karasiev, Valentin V., Ludeña, Eduardo V., Shukruto, Olga A.

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  3. 3
    Nonempirical generalized gradient approximation free-energy functional for orbital-free simulations

    Nonempirical generalized gradient approximation free-energy functional for orbital-free simulations by Karasiev, Valentin V, Chakraborty, Debajit, Shukruto, Olga A, Trickey, S B

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  4. 4
    Non-empirical Generalized Gradient Approximation Free Energy Functional for Orbital-free Simulations

    Non-empirical Generalized Gradient Approximation Free Energy Functional for Orbital-free Simulations by Karasiev, Valentin V, Chakraborty, Debajit, Shukruto, Olga A, Trickey, S B

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  5. 5
    Numerical local "hybrid" functional treatment of selected diatomic molecules: comparison of energies and multipole moments to conventional hybrid functionals

    Numerical local "hybrid" functional treatment of selected diatomic molecules: comparison of energies and multipole moments to conventional hybrid functionals by Mikhailov, Ivan A, Shukruto, Olga A, Masunov, Artem E, Karasiev, Valentin V

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