Related papers: Quantum dynamics of CO-H$_2$ in full dimensionalit…
Molecular dynamics calculations of inelastic collisions of atomic oxygen with molecular nitrogen are known to show orders of magnitude discrepancies with experimental results in the range from room temperature to many thousands of degrees…
OH is a cornerstone molecule in the chemistry of interstellar and circumstellar media and is ubiquitously detected in warm gas thanks to its infrared rotational lines. However, the excitation processes of OH remain poorly characterized. We…
Nitric oxide is an open-shell molecule abundantly detected in the interstellar medium. A precise modeling of its radiative and collisional processes opens the path to a precise estimate of its abundance. We present here the first rate…
We consider collisional excitation of H$_2$ molecules in C-type shocks propagating in dense molecular clouds. New data on collisional rate coefficients for (de-)excitation of H$_2$ molecule in collisions with H atoms and new H$_2$…
Studies of quantum thermal effects on molecular excitation dynamics have often relied on oversimplified models, such as energy eigenstates or low-dimensional potentials, which fail to capture the complexity of real chemical systems. In…
We present the first dataset of collisional (de)-excitation rate coefficients of HCN induced by CO, one of the main perturbing gases in cometary atmospheres. The dataset spans the temperature range of 5-50 K. It includes both state-to-state…
With the aim of studying nonperturbative out-of-equilibrium dynamics of high-energy particle collisions on quantum simulators, we investigate the scattering dynamics of lattice quantum electrodynamics in 1+1 dimensions. Working in the…
The fast dynamics of molecular polaritonics is scrutinized theoretically through the implementation of two-dimensional spectroscopy protocols. We derive conceptually simple and computationally efficient formulas to calculate two-dimensional…
Atmospheric carbon dioxide concentrations are being closely monitored by remote sensing experiments which rely on knowing line intensities with an uncertainty of 0.5% or better. We report a theoretical study providing rotation-vibration…
We consider the coherent control of ultracold molecule-molecule scattering, impacted by a dense set of rovibrational resonances. To characterize the resonance spectrum, a rudimentary model based on multichannel quantum defect theory has…
Transmission spectra of H$_2$O+CO$_2$ mixtures have been recorded, at 296, 325 and 366 K, for various pressures and mixture compositions using two experimental setups. Their analysis enables to retrieve values of the 'continuum' absorption…
We calculate two-body scattering phase shifts on a quantum computer using a leading order short-range effective field theory Hamiltonian. The algorithm combines the variational quantum eigensolver and the quantum subspace expansion. As an…
The detailed distribution and kinematics of the atomic and the CO-bright molecular hydrogen in the disc of the Milky Way inside the Solar circle are derived under the assumptions of axisymmetry and pure circular motions. We divide the…
We employ a variational basis with a number of $\bar{q}q$ and $\pi\pi$ lattice interpolating fields with quantum numbers of the $\rho$ resonance to extract the discrete energy spectrum in a finite volume. In the elastic region, this…
Whereas collisions between atoms and molecules are largely understood, collisions between two molecules have proven much harder to study. In both experiment and theory, our ability to determine quantum state-resolved bimolecular cross…
Including quantum mechanical effects on the dynamics of nuclei in the condensed phase is challenging, because the complexity of exact methods grows exponentially with the number of quantum degrees of freedom. Efforts to circumvent these…
The non-equilibrium dynamics of an isolated quantum system after a sudden quench to a dynamical critical point is expected to be characterized by scaling and universal exponents due to the absence of time scales. We explore these features…
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…
Atmospheric CO$_2$ concentrations are being closely monitored by remote sensing experiments which rely on knowing line intensities with an uncertainty of 0.5\%\ or better. Most available laboratory measurements have uncertainties much…
We investigate the chemical evolution of a forming molecular cloud behind an interstellar shock wave. We conduct three-dimensional magnetohydrodynamics simulations of the converging flow of atomic gas, including a simple chemical network…