All Stories

  1. Lagrangian of extended multiconfigurational self-consistent field second-order quasidegenerate perturbation theory combined with reference interaction site model self-consistent field constraint spatial electron density

    Article • The Journal of Chemical Physics, March 2024, American Institute of Physics

    Daisuke Yokogawa, Naoki Negishi

  2. Recent developments and applications of reference interaction site model self-consistent field with constrained spatial electron density (RISM-SCF-cSED): A hybrid model of quantum chemistry and integral equation theory of molecular liquids

    Article • The Journal of Chemical Physics, February 2024, American Institute of Physics

    Daisuke Yokogawa, Professor Hirofumi Sato

  3. Hyper-Raman spectroscopy of benzene and pyridine revisited

    Article • The Journal of Chemical Physics, August 2022, American Institute of Physics

    Daisuke Yokogawa

  4. Analytical second derivatives of the free energy in solution by the reference interaction site model self-consistent field explicitly including constrained spatial electron density distribution

    Article • The Journal of Chemical Physics, November 2021, American Institute of Physics

    Daisuke Yokogawa

  5. Analytical energy gradient for the second-order Møller–Plesset perturbation theory coupled with the reference interaction site model self-consistent field explicitly including spatial electron density distribution

    Article • The Journal of Chemical Physics, April 2021, American Institute of Physics

    Daisuke Yokogawa