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Potential-energy surfaces of water and its molecular ions up to H$_2$O$^{3+}$
We compute the potential-energy surfaces for molecular ions up to H$_2$O$^{3+}$ with any combinations of outer-valence, inner-valence and core holes. To obtain the potential-energy surfaces, we consider several ab initio techniques based on the CASSCF method and benchmark them with respect to the li
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