Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
9575225 | Chemical Physics | 2005 | 6 Pages |
Abstract
Multireference configuration interaction studies were performed on low-lying states of GeO+. The ground state (GS) was found to be X2Î , with 12Σ+ lying 0.22 eV higher. Based on the observed vertical ionization potentials, 12Σ+ had been assigned as GS in previous experimental work. Calculated Re, Te and De values, as well as ionization potentials, are in good agreement with experimental data available for X2Î , 12Σ+ and 22Σ+. Other predicted stable states of GeO+ are 14Î , 14Σ+, at 2.89 and 3.27 eV, respectively, and 12Φ, 22Î, 22Σâ, 32Σ+ and 32Î , with Te's in the 5.1-5.4 eV region. The results obtained for GeO+ are related to those found for other isovalent diatomic cations.
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Authors
Christopher M. Clouthier, Friedrich Grein,