Potential energy surface of HDO up to 25,000 cm-1.

A new spectroscopically determined potential energy surface (PES) for HD(16)O is presented. This surface is constructed by adjusting the high accuracy ab initio PES of Polyansky et al. [Science 299, 539 (2003)] by fitting to both published experimental data and our still unpublished data.

A new ab initio ground-state dipole moment surface for the water molecule.

A valence-only (V) dipole moment surface (DMS) has been computed for water at the internally contracted multireference configuration interaction level using the extended atom-centered correlation-consistent Gaussian basis set aug-cc-pV6Z. Small corrections to these dipole values, resulting from core correlation (C) and relativistic (R) effects, have also been computed and added to the V surface. The resulting DMS surface is hence called CVR.

Continuous-wave cavity ringdown spectroscopy of the 8nu polyad of water in the 25,195-25,340 cm(-1) range.

State-of-the-art experiments and calculations are used to record and assign the data obtained in the weakly absorbing blue energy region of the H2O spectrum. Continuous-wave cavity ringdown absorption spectroscopy with Doppler resolution is used to probe the range from 25,195 to 25,470 cm(-1) with an absorption sensitivity of approximately 1 parts per 10(9) (ppb)/cm. 62 lines of the polyad nu(OH)=8 are reported, of which 43 are assigned using variational nuclear calculations.

Dipole moments of highly vibrationally excited water.

The intensity of water absorption in the region of the solar spectrum plays a dominant role in atmospheric energy balance and hence strongly influences climate. Significant controversy exists over how to model this absorption accurately. We report dipole moment measurements of highly vibrationally excited water, which provide stringent tests of intensities determined by other means.

Joint Rotational Analysis of 24 Bands of the H2Se Molecule.

A global fit of all currently available rotation-vibration energies has been made for 24 vibrational states of the H802Se molecule. The resulting set of 112 parameters reproduces the initial 3516 vibration-rotation energies with a mean accuracy of 10.6 x 10(-3) cm-1.

The High-Resolution Fourier Transform Spectrum of Dideuterated Methane CH2D2 in the Region between 1900 and 2400 cm-1.

The infrared spectrum of doubly deuterated methane CH2D2 has been recorded in the region from 1900 to 2400 cm-1 at almost Doppler-limited resolution by using two high-resolution Fourier transform spectrometers. The vibrational bands observed include 2nu4, nu4 + nu7, 2nu7, nu2, nu8, nu4 + nu9, and nu7 + nu9, which were analyzed by taking into account Coriolis and Fermi interactions among them and also those with nu4 + nu5, nu3 + nu7, and nu5 + nu7. Most of the centrifugal distortion constants were constrained to appropriate values, while the vibrational term value and three rotational constants in each of the seven excited states were adjusted along with Coriolis and Fermi interaction parameters by the least-squares analysis of the observed spectrum.