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The kinetics and energetic relaxation associated with collisions between fast and thermal atoms are of fundamental interest for escape and therefore also for the evolution of the Mars atmosphere. The total and differential cross-sections of…
Resonant vibrational excitation cross sections and the corresponding rate coefficients for electron-N$_2$ collisions occurring through the N$_2^-(\textrm{X}\ ^2\Pi_g)$ resonant state are reviewed. New calculations are performed using…
Hypervolatile species such as carbon monoxide (CO) and molecular nitrogen (N2) have been detected in comets, and could be used to constrain comet formation temperature conditions if their presence is due to freeze-out and/or entrapment.…
A recombination reaction model for high-temperature chemical kinetics is derived from ab initio simulations data. A kinetic recombination rate model is derived using a recently developed ab initio state-specific dissociation model and the…
We investigate rotational state changes in a single collision of diatomic molecular ions, polar or apolar, with an atomic ion. Rotational state changes may occur since the angular degree of freedom of the molecular ions interacts with the…
The theoretical approach developed here treats uniformly the direct and indirect mechanisms of dissociative recombination (DR) in a diatomic ion. The present theory is based on electron scattering calculations performed at several…
Resonant vibrational-excitation cross sections and rate constants for electron scattering by molecular oxygen are presented. Transitions between all 42 vibrational levels of O$_2(\textrm{X}\ ^3\Sigma_g^- $) are considered. Molecular…
Full $NVT$ quantum statistics of the H$_3^+$ ion is simulated at low densities using the path integral Monte Carlo approach. For the first time, the molecular total energy, partition function, free energy, entropy and heat capacity are…
Rate coefficients for the dissociative recombination, vibrational excitation and vibrational de-excitation of the BeT$^{+}$ ion for all vibrational levels of its ground electronic state ($ X\ensuremath{^{1}\Sigma^{+}},v_{i}^{+}=0,\dots,27$)…
An alternative method is introduced to solve a simple two-dimensional models describing vibrational excitation and dissociation processes during the electron-molecule collisions. The model works with one electronic and one nuclear degree of…
Observations of OH$^+$ are used to infer the interstellar cosmic ray ionization rate in diffuse atomic clouds, thereby constraining the propagation of cosmic rays through and the shielding by interstellar clouds, as well as the low energy…
We separate a Bose-Einstein condensate into an array of 2D sheets using a 1D optical lattice, and then excite quantized vibrational motion in the direction normal to the sheets. Collisions between atoms induce vibrational de-excitation,…
$Aims$: We revisit with new augmented accuracy the theoretical dynamics of basic isotope exchange reactions involved in the $^{12}$C/$^{13}$C, $^{16}$O/$^{18}$O, and $^{14}$N/$^{15}$N balance because these reactions have already been…
The low-temperature (up to about 100K) collisional (de)excitation cross sections are computed using the full coupled-channel (CC) quantum dynamics for both Li$_2$ and Li$_2^+$ molecular targets in collision with $^4$He. The interaction…
We describe the major low-energy electron-impact processes involving H$^+_2$ and HD$^+$, relevant for the astrochemistry of the early Universe: Dissociative recombination, elastic, inelastic and superelastic scattering. We report cross…
Calculations are performed for electron collision with the methylene molecular ion CH$_2^+$ in its bent equilibrium geometry, with the goal to obtain cross sections for electron impact excitation and dissociation. The polyatomic version of…
Carbon monoxide is a simple molecule present in many astrophysical environments, and collisional excitation rate coefficients due to the dominant collision partners are necessary to accurately predict spectral line intensities and extract…
The fragmentation of carbon monoxide dimers induced by collisions with low energy Ar$^{9+}$ ions is investigated using the COLTRIMS technique. The presence of a neighbor molecule in the dimer serves here as a diagnostic tool to probe the…
Electronic excitations and ionisations produced by electron impact are key processes in the radiation-induced damage mechanisms in materials of biological relevance, underlying important medical and technological applications, including…
This work constructs a rovibrational state-to-state model for the $\text{O}_2$+$\text{O}_2$ system leveraging high-fidelity potential energy surfaces and quasi-classical trajectory calculations. The model is used to investigate internal…