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- W2031806202 endingPage "391" @default.
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- W2031806202 abstract "Electron propagator theory (EPT) is applied to calculating vertical ionization energies of the anions F−, Cl−, OH−,SH−, NH2−, PH2− and CN−. Third-order and outer valence approximation (OVA) quasiparticle calculations are compared with ΔMBPT(4) (MBPT, many-body perturbation theory) results using the same basis sets. Agreement with experiment is satisfactory for EPT calculations except for F− and OH−, while the ΔMBPT treatments fail for CN−. EPT(OVA) estimates are reliable when the discrepancy between second- and third-order results is small. Computational aspects are discussed, showing relative merits of direct and indirect methods for evaluating electron binding energies." @default.
- W2031806202 created "2016-06-24" @default.
- W2031806202 creator A5088783756 @default.
- W2031806202 date "1987-05-01" @default.
- W2031806202 modified "2023-09-27" @default.
- W2031806202 title "Direct versus indirect many-body methods for calculating vertical electron affinities: applications to F−, OH− , NH2−, CN−, Cl−, SH− and PH2−" @default.
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- W2031806202 doi "https://doi.org/10.1016/0009-2614(87)80272-5" @default.
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