			15min:

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

SERGEI A. TASHKUN, TATIANA A. PUTILOVA AND SEMEN MIKHAILENKO, Laboratory of Theoretical Spectroscopy, Institute of Atmospheric Optics, 1, Akademicheskii Av., 634055 Tomsk, Russia.

Unambiguous rovibrational spectroscopic assignment ( v ₁, v ₂, v ₃, J , K_a , K_c ) up to J , K_a =30 of PS energy levels for the (000), (010), (100), (020) and (001) vibrational states of nine isotopic species (H₂¹⁶O, H₂¹⁸O, H₂¹⁷O, HD¹⁶O, HD¹⁸O, HD¹⁷O, D₂¹⁶O, D₂¹⁸O, D₂¹⁷O) 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 and a large basis set. PS levels will be compared with experimental levels collected from the literature. Differences between PS and BT2 calculated levels for the H₂¹⁶O isotopic species will be also given and discussed.