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• W4247494779 abstract "Vertical ionization energies of Li−3, Na−3, LiNa−2, and Li2Na− are calculated with ab initio electron propagator theory. D∞h and C∞v isomers for the heteronuclear triatomics are considered. Two doublet final states with Σ symmetry are considered for each case. Koopmans’s theorem, second order, third order, and partial fourth order results form a steadily converging series. Outer valence approximation results are not similar and are probably inferior to the partial fourth order results. Convergence of results with respect to the order of electron interaction in the propagator self-energy and with respect to basis set saturation is achieved to within 0.1 eV." @default.
• W4247494779 created "2022-05-12" @default.
• W4247494779 creator A5088783756 @default.
• W4247494779 date "1988-11-15" @default.
• W4247494779 modified "2023-10-16" @default.
• W4247494779 title "Electron binding energies of anionic alkali metal triatomics from partial fourth order electron propagator theory calculations" @default.
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• W4247494779 doi "https://doi.org/10.1063/1.455402" @default.
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