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- W2000355622 endingPage "1794" @default.
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- W2000355622 abstract "A simple method of estimating ionization energies is proposed, formulation being made for atomic systems. The method aims at improving Koopmans’ approximation by incorporating a scale factor into Koopmans’ variation problem for the hole state in the space built of the occupied Hartree-Fock manifold of the parent state. The shrinking of the electronic cloud through ionization is effectively taken into account with the scale factor; the scaling makes the hole state fulfil the virial theorem. Numerical examples are given for valence-shell and core ionizations of several atomic systems. The results are encouraging on the whole. The attendant concepts, the quasiparticle ejection energy and the global correction, seem to be helpful in understanding the electronic behavior through ionization." @default.
- W2000355622 created "2016-06-24" @default.
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- W2000355622 date "1984-07-01" @default.
- W2000355622 modified "2023-10-05" @default.
- W2000355622 title "Simple Estimation of Ionization Energies. An Improvement of Koopmans’ Approximation by Scaling" @default.
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- W2000355622 doi "https://doi.org/10.1246/bcsj.57.1789" @default.
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