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- W2139851971 abstract "Electron propagator calculations with unrestricted Hartree-Fock reference states yield the ionization energies of the title anions. Spin contamination in the anionic reference state is small, enabling the use of second-and third-order self-energies in the Dyson equation. Feynman-Dyson amplitudes for these ionizations are essentially identical to canonical spin-orbitals. For most of the final states, these consist of an antibonding combination of an sp metal hybrid, polarized away from the hydrogen, and hydroegen s functions. In one case, the Feynman-Dyson amplitude consists of nonbonding d functions. Calculated ionization energies are within 0.5 eV of experiment." @default.
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- W2139851971 date "1990-08-01" @default.
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- W2139851971 title "Electron propagator calculations on the ionization energies of CrH−, MnH− and FeH−" @default.
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- W2139851971 doi "https://doi.org/10.1016/0009-2614(90)85226-3" @default.
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