PARTRIDGE-SCHWENKE ROVIBRATIONAL ENERGY LEVELS FOR WATER: SPECTROSCOPIC ASSIGNMENT AND COMPARISON WITH EXPERIMENTAL ENERGY LEVELS

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Unambiguous rovibrational spectroscopic assignment (\textit{v}$_1$, \textit{v}$_2$, \textit{v}$_3$, \textit{J}, \textit{K$_a$}, \textit{K$_c$}) up to \textit{J},\textit{K$_a$}=30 of PS energy levels for the (000), (010), (100), (020) and (001) vibrational states of nine isotopic species (H$_2$$^{16}$O, H$_2$$^{18}$O, H$_2$$^{17}$O, HD$^{16}$O, HD$^{18}$O, HD$^{17}$O, D$_2$$^{16}$O, D$_2$$^{18}$O, D$_2$$^{17}$O) of the water molecule will be presented. PS levels were calculated with the help of an accurate isotope dependent potential energy surface by Partridge and Schwenke} \underline{106}(11), 4618-4639 (1997)} and a large basis set. PS levels will be compared with experimental levels collected from the literature. Differences between PS and BT2} \underline{368}, 1087-1094 (2006)} calculated levels for the H$_2$$^{16}$O isotopic species will be also given and discussed.

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H. Partridge and D.W. Schwenke, J. Chem. Phys.R.J. Barber J. Tennyson, G.J. Harris and R.N. Tolchenov, Mon. Not. R. Astron.
Author Institution: Laboratory of Theoretical Spectroscopy, Institute of Atmospheric Optics, 1, Akademicheskii Av., 634055 Tomsk, Russia

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