The VoTe Room Temperature H216O Line List up to 25 000 cm–1

Аннотация

A new line list transition for the water molecule is presented. The line lists is created on the basis of VoTe calculations using cutoff values of 25 000 cm^–1 in transition wavenumber and J max = 50. Calculations use the high accuracy, empirical potential energy surface (PES) of Bubukina et al. LTP2011 and the CVR water dipole moment surface (DMS) of Lodi et al. (2011). Vibration–rotation energy levels up to J = 50 are computed using DVR3D; a novel method of labeling is used which allows more thorough labelling of the energy levels with approximate vibrational and rotational quantum numbers than previous water line lists.