bn:01467438n
Noun Concept
Categories: Articles with short description, Theoretical chemistry, Quantum chemistry, Computational chemistry
EN
Koopmans' theorem  Koopman's Theorem  Koopman Theorem  Koopmann's theorem  Koopmans theorem
EN
Koopmans' theorem states 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. Wikipedia
Definitions
Relations
Sources
EN
Koopmans' theorem states 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. Wikipedia
NAMED AFTER