In this paper, we demonstrate that it is possible to apply collocation to compute vibrational energy levels of a five-atom molecule using an exact kinetic energy operator (with cross terms and coordinate-dependent coefficients). This is made possible by using (1) a pruned basis of products of univariate functions; (2) a Smolyak grid made from nested sequences of grids for each coordinate; (3) a...

We report our spectroscopic studies of the d 3Π state of ultra-cold 7Li85Rb using resonantly enhanced multi-photon ionization and depletion spectroscopy with bound-to-bound transitions originating from the metastable a 3Σ+ state. We evaluate the potential of this state for use as the intermediate state in a stimulated-Raman-adiabatic-passage transfer scheme from triplet Feshbach LiRb molecules ...

The laser-induced fluorescence and laser-excited dispersed fluorescence spectra of the cyclohexoxy radical has been observed under two sets of free-jet-cooling conditions, characterized by rotational temperatures of approximately 1 and 100 K. Although five conformers of cyclohexoxy are possible, it appears that all presently observed spectral bands can be accounted for by a single one. All cold...

The vibrational bound states of the He(2)Ne(+) complex have been determined using a potential energy surface previously published by Seong et al. [J. Chem. Phys. 2004, 120, 7456]. The calculation was performed by sequential diagonalization-truncation techniques in a discrete variable representation using Radau hyperspherical coordinates. There are 52 bound levels. The ground state has an energy...

BACKGROUND 2-amino pyridine derivatives have attracted considerable interest because they are useful precursors for the synthesis of a variety of heterocyclic compounds possessing a medicinal value. In this work we aim to study both structural and electronic as well as high quality vibrational spectra for 2-amino-3-methylpyridine (2A3MP) and 2-amino-4-methylpyridine (2A4MP). RESULTS Møller-Pl...

An analytical expression is found for the accurate ab initio potential energy curve of the fluorine molecule that has been determined in the preceding two papers. With it, the vibrational and rotational energy levels of F(2) are calculated using the discrete variable representation. The comparison of this theoretical spectrum with the experimental spectrum, which had been measured earlier using...

A growing issue in the area of vehicular ride comfort is that of child safety seats. Postural, thermal and vibrational comfort considerations are finding their way into child seat design. This paper makes some observations regarding the current state of child safety seat design, then goes on to present the results of vibration tests performed over two road surfaces using two child seats and two...

The natural lifetimes of a large number of the vibrational levels of the excited à 2Σ+ electronic state of the family of rare gas complexes, R·SH (R=Ne, Ar, and Kr) and their deuterides, are reported. It is well known that the natural lifetime of the à 2Σ+ state of isolated SH/D is markedly shortened by a photofragmentation process. Our results for the complexes show that the rare gas atom play...

Several molecules absorb light energy which they emit after a time difference (lifetime) as radiation energy. Molecules remain at a low energy level or the ground electronic singlet state (So) or the lowest vibrational level at room temperature (Noomnarm and Clegg, 2009). On absorption of a photon, the molecule is excited from So to the first electronic excited singlet state S1 within < 10-15 s...

A class of doubly excited electronic states of the hydrogen molecule is reported. The states are of S symmetry and are located ca. 200 000 cm 1 above the ground state and about 75 000 cm 1 above the ionization threshold. The electronic wave functions employed to described these states have been expanded in the basis of exponentially correlated Gaussian (ECG) functions with the nonlinear paramet...