An algorithm is proposed, based principally on an earlier proposition of Flaud and coworkers [Mol. Phys. 32 (1976) 499], that inverts the information contained in uniquely assigned experimental rotational-vibrational transitions in order to obtain measured active rotational-vibrational energy levels (MARVEL). The procedure starts with collecting, critically evaluating, selecting, and compiling ...

Quantum mechanical calculations on the vibrational predissociation dynamics of NeBr 2 in the B electronic state have been performed and the results compared with both experimental data and other computational studies. For vibrational levels with vр20 we find that the vibrational state dependence of the predissociation lifetimes is in qualitative agreement with experimental measurements, as are ...

Introduction In this experiment you will examine the energetics of vibrational and rotational motion in the diatomic molecule HCl. The experiment involves detecting transitions between different molecular vibrational and rotational levels brought about by the absorption of quanta of electromagnetic radiation (photons) in the infrared region of the spectrum. The introductory discussion consists ...

A new quartic force field for the SO2 C̃ B2 state has been derived, based on high resolution data from SO2 and S O2. Included are eight b2 symmetry vibrational levels of S O2 reported in the first paper of this series [G. B. Park, et al., J. Chem. Phys. 144, 144311 (2016)]. Many of the experimental observables not included in the fit, such as the Franck-Condon intensities and the Coriolis-pertur...

The present theoretical study is concerned with the vibrational trapping or bond hardening, which is a well-known phenomenon predicted by a dressed state representation of small molecules like and in an intense laser field. This phenomenon is associated with a condition where the energy of the light induced, vibrational level coincides with one of the vibrational levels on the field-free potent...

We report primitive semiclassical rotation-vibrational energy levels for a triatomic molecule, H20, with inclusion of all three vibrational degrees of freedom. Both the Lai-Hagstrom and Hoy-Bunker potential surfaces are used. Vibrational and rotational actions are calculated usinn the fast Fourier transform Sorbie-Handy method. Overall, encouraging agreement with the quantum variational results...

We perform converged high precision variational calculations to determine the frequencies of a large number of vibrational levels in S(0) D(2)CO, extending from low to very high excess vibrational energies. For the calculations we use our specific vibrational method (recently employed for studies on H(2)CO), consisting of a combination of a search/selection algorithm and a Lanczos iteration pro...