Ab initio calculations on the three lowest states of HO+2 |
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| Authors: | Joop H Van Lenthe Paul JA Ruttink |
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| Institution: | Theoretical Chemistry Group, State University of Utrecht, Utrecht, The Netherlands |
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| Abstract: | Ab initio calculations were performed for the three lowest lying states of HO+2. The ground state was found to be a bend 3A″ state. The first excited 1A′ state cannot appropriately be described by a single determinant, therefore a MC SCF calculation was employed. |
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