Koopmans' theorem

短语

[化] 库普曼斯定理

释义与例句

name
  1. 1.

    A theory stating that, in closed-shell Hartree-Fock theory, the first ionization energy of a molecular system is equal to the negative of the orbital energy of the highest occupied molecular orbital (HOMO).

    化学

词源

Named after Dutch-American mathematician Tjalling Koopmans (1910–1985), who published this result in 1934.

来源：wiktionary