Extension of Koopmans’ theorem. I. Derivation
- 1 January 1975
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 62 (1), 113-114
- https://doi.org/10.1063/1.430253
Abstract
It is shown that the spin orbitals that diagonalize the generalized Hartree−Fock potentials [Int. J. Quantum Chem. Symp., 8, 501 (1974)] for a correlated wavefunction, together with the corresponding orbital energies, give a natural extension of Koopmans’ theorem to correlated reference states.Keywords
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