Related papers: Rotational Excitation of HC_3N by H_2 and He at lo…
The calculation of the hindered roton-phonon energy levels of a hydrogen molecule in a confining potential with different symmetries is systematized for the case when the rotational angular momentum $J$ is a good quantum number. One goal of…
Low-frequency Raman peaks, below 250 cm-1, are observed in hydrogen between 2-174 GPa and 13-300 K. The origin of these features is attributed to reorientational transitions (DeltaJ = 0; Q0-branch), which shift from the Rayleigh line as…
We measure and theoretically determine the effect of molecular rotational splitting on Zeeman relaxation rates in collisions of cold Triplet-Sigma molecules with helium atoms in a magnetic field. All four stable isotopomers of the imidogen…
Calculations are reported on the rotation-vibration energy levels of the arsine molecule with associated transition intensities. A potential energy surface (PES) obtained from \textit{ab initio} electronic structure calculations is refined…
The rotational excitation of the three asymmetric-top molecular ion isotopologues H$_2$O$^+$, HDO$^+$, and D$_2$O$^+$ is studied theoretically using a combined framework of electron-molecule R-matrix scattering theory, multichannel…
Radiative capture reaction rates for $^6$He, $^9$Be and $^{17}$Ne formation at astrophysical conditions are studied within a three-body model using the analytical transformed harmonic oscillator method to calculate their states. An…
A four-dimensional potential energy surface for the interaction between He and HCN with vibrational bending is presented. Ab initio calculations were carried out at the coupled-cluster level with single and double excitations and a…
We report combined studies on the prototypical S(^1D_2) + H2 insertion reaction. Kinetics and crossed-beam experiments are performed in experimental conditions approaching the cold energy regime, yielding absolute rate coefficients down to…
Employing a cranking Hamiltonian, in the static path approximation to the partition function, we have studied the behaviour of the moment of inertia of $^{64}Zn$ at a few values of temperatures as a function of the rotation frequency. At a…
We present the first systematic measurement of the binding energy $E_a$ of hydrogen atoms to the surface of saturated $^3$He-$^4$He mixture films. $E_a$ is found to decrease almost linearly from 1.14(1) K down to 0.39(1) K, when the…
Data for inelastic processes due to hydrogen atom collisions with iron are needed for accurate modelling of the iron spectrum in late-type stars. Excitation and charge transfer in low-energy Fe+H collisions is studied theoretically using a…
The reaction between atomic oxygen and molecular hydrogen is an important one in astrochemistry as it regulates the abundance of the hydroxyl radical and serves to open the chemistry of oxygen in diverse astronomical environments. However,…
In order to improve the understanding of the low temperature combustion of ethanol, high-level ab initio calculations were performed for elementary reactions involving hydroxyethylperoxy radicals. These radicals come from the addition of…
We study the rotational and vibrational heating of diatomic molecules placed near a surface at finite temperature on the basis of macroscopic quantum electrodynamics. The internal molecular evolution is governed by transition rates that…
Cold collisions of ground state oxygen molecules with Helium have been investigated in a wide range of cold collision energies (from 1 $\mu$K up to 10 K) treating the oxygen molecule first as a rigid rotor and then introducing the…
The role of the exchange-correlation potential and the exchange-correlation kernel in the calculation of excitation energues from time-dependent density functional theory is studied. Excitation energies of the He and Be atoms are…
We report the results of a search for pure rotational molecular hydrogen emission from the circumstellar environments of young stellar objects with disks using the Texas Echelon Cross Echelle Spectrograph (TEXES) on the NASA Infrared…
We present a new computational method for the determination of energy levels in four-particle systems like H$_2$, HD, and HeH$^+$ using explicitly correlated exponential basis functions and analytic integration formulas. In solving the…
We present Submillimeter Array observations of the massive star-forming region IRAS 20126+4104 in the millimeter continuum and in several molecular line transitions. With the SMA data, we have detected nine molecular transitions, including…
Using the ab initio computed Potential Energy Surface (PES) for the electronic interaction of the MgH$^+$ ($^1\Sigma$) ion with the He($^1$S) atom, we calculate the relevant state-changing rotationally inelastic collision cross sections…