Water line lists close to experimental accuracy using a spectroscopically determined potential energy surface for H2O16, H2O17, and H2O18

Line lists of vibration-rotation transitions for the H2O16, H2O17, and H2O18 isotopologues of the water molecule are calculated, which cover the frequency region of 0–20000cm−1 and with rotational states up to J=20 (J=30 for H2O16). These variational calculations are based on a new semitheoretical potential energy surface obtained by morphing a high accuracy ab initio potential using experimental energy levels. This potential reproduces the energy levels with J=0, 2, and 5 used in the fit with a standard deviation of 0.025cm−1. Linestrengths are obtained using an ab initio dipole moment surface. That these line lists make an excellent starting point for spectroscopic modeling and analysis of rotation-vibration spectra is demonstrated by comparison with recent measurements of Lisak and Hodges [J. Mol. Spectrosc. (unpublished)]: assignments are given for the seven unassigned transitions and the intensity of the strong lines are reproduced to with 3%. It is suggested that the present procedure may be a bette...