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- W2091955871 abstract "Theoretical calculations of spectroscopic constants and potential energy curves of 13 electronic states of GeH+ are obtained. We employed complete active space MCSCF followed by CI calculations to obtain the spectroscopic constants of GeH+. The theoretical IP of the Ge atom (7.68 eV) was found to be in good agreement with an experimental value of 7.88 eV. The ground state of GeH+ was found to be a 1Σ+ state with re = 1.576 Å, ωe = 2024 cm−1, and De = 2.95 eV in excellent agreement with the known experimental results. The GeH+ ion was found to have a larger De than the neutral GeH molecule (De = 2.81 eV). Our calculations confirm the experimentally observed a3Π-X1Σ+ transition and predict other transitions which are yet to be observed." @default.
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- W2091955871 date "1990-10-01" @default.
- W2091955871 modified "2023-10-16" @default.
- W2091955871 title "Spectroscopic constants and potential energy curves of GeH+" @default.
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- W2091955871 doi "https://doi.org/10.1016/0022-2852(91)90083-m" @default.
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