Knowledge Bank

Unambiguous rovibrational spectroscopic assignment (\textit{v}$1$, \textit{v}$2$, \textit{v}$3$, \textit{J}, \textit{K}, \textit{K}) up to \textit{J},\textit{K}=30 of PS energy levels for the (000), (010), (100), (020) and (001) vibrational states of nine isotopic species (H$2$$\mathrm{<mrow\; data-mjx-texclass="ORD">16</mrow>}$O, H$2$$\mathrm{<mrow\; data-mjx-texclass="ORD">18</mrow>}$O, H$2$$\mathrm{<mrow\; data-mjx-texclass="ORD">17</mrow>}$O, HD$\mathrm{<mrow\; data-mjx-texclass="ORD">16</mrow>}$O, HD$\mathrm{<mrow\; data-mjx-texclass="ORD">18</mrow>}$O, HD$\mathrm{<mrow\; data-mjx-texclass="ORD">17</mrow>}$O, D$2$$\mathrm{<mrow\; data-mjx-texclass="ORD">16</mrow>}$O, D$2$$\mathrm{<mrow\; data-mjx-texclass="ORD">18</mrow>}$O, D$2$$\mathrm{<mrow\; data-mjx-texclass="ORD">17</mrow>}$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$$\mathrm{<mrow\; data-mjx-texclass="ORD">16</mrow>}$O isotopic species will be also given and discussed.