英和和英

固有名詞

Hartree-Fock

1. (chemistry, physics, also attributively) Ellipsis of Hartree-Fock method.
   • 2016 April 26, Jie Ma, Lin-Wang Wang, “Using Wannier functions to improve solid band gap predictions in density functional theory”, in Scientific Reports, volume 6, →DOI, article 24924, page 1:

     There exists another approach to correct the DFT and its related Kohn-Sham Hamiltonian: the Koopmans’ theorem^11–22. The original Koopmans’ theorem only states that in Hartree-Fock, the first ionization energy is equal to the highest occupied orbital energy if the wave function relaxations are ignored.