Related papers: Reactive collision of electrons with CO$^+$ in com…
We have studied hydrogen-hydrogen-alkali three-body systems in the adiabatic hyperspherical representation. For the spin-stretched case, there exists a single $X$H molecular state when $X$ is one of the bosonic alkali atoms: $^7$Li,…
A free electron can form a bound state with an atomic center $A$ upon photo emission (radiative recombination). In the presence of a neighboring atom $B$, such a bound state can, under certain conditions, be also formed via resonant…
The end-to-end dynamics of the smallest energized Criegee intermediate, H$_2$COO, was characterized for vibrational excitation close to and a few kcal/mol above the barrier for hydrogen transfer. From an aggregate of at least 5 $\mu$s of…
The dynamics for molecule formation, relaxation, diffusion, and desorption on amorphous solid water is studied in a quantitative fashion. We aim at characterizing, at a quantitative level, the formation probability, stabilization, energy…
Fine-structure transitions can be involved in various processes including photon absorption, charge transfer and inelastic collision between ions, electrons and neutral atoms. We present fine-structure excitation and relaxation cross…
Detailed quantum chemistry calculations within the multireference configuration interaction approximation with the Davidson correction (MRCI+Q) are presented using an aug-cc-pV6Z basis set, for the potential energy curves and transition…
In plasmas at very low temperatures formation of neutral atoms is dominated by collisional three-body recombination, owing to the strong ~ T^(-9/2) scaling of the corresponding recombination rate with the electron temperature T. While this…
An overview of quantum-mechanical methods to generate cross-section data for electron collisions with atoms and molecules is presented. Particular emphasis is placed on the time-independent close-coupling approach, since it is particularly…
Observations of four comets made with the Far Ultraviolet Spectroscopic Explorer show the rotational envelope of the (0,0) band of the CO Hopfield-Birge system (C - X) at 1088 A to consist of both "cold" and "hot" components, the "cold"…
The cross section of a given process fundamentally quantifies the probability for that given process to occur. In the quantum regime of low energies, the cross section can vary strongly with collision energy due to quantum effects. Here, we…
The low-energy electron-impact dissociation of molecular hydrogen has been a source of disagreement between various calculations and measurements for decades. Excitation of the ground state of H$_2$ into the dissociative $b ^3\Sigma_u^+$…
The influence of dispersion on the differential scattering cross section in the vicinity of the first diffraction minimum is revisited for collision energies between 200 and 450 MeV. Transient nuclear excitations in the giant resonance…
Accessing coherences is key to fully understand and control ultrafast dynamics of complex quantum systems like molecules. Most photochemical processes are mediated by conical intersections (CIs), which generate coherences between electronic…
The rotational transitions of carbon monoxide (CO) are the primary means of investigating the density and velocity structure of the molecular interstellar medium. Here we study the lowest four rotational transitions of CO towards…
Cold molecules are important for many applications, from fundamental precision measurements, quantum information processing, quantum-controlled chemistry, to understanding the cold interstellar medium. Molecular ions are known to be cooled…
Data for inelastic processes due to hydrogen atom collisions with manganese and titanium are needed for accurate modeling of the corresponding spectra in late-type stars. In this work excitation and charge transfer in low-energy Mn+H and…
The physics of vibrational kinetics in nitrogen-containing plasma produced by collisions with electrons is studied on the basis of recently derived cross sections and rate coefficients for the resonant vibrational-excitation by…
A theoretical method for the estimation of cross sections and rates for excitation and charge transfer processes in low-energy hydrogen atom collisions with neutral atoms, based on an asymptotic two-electron model of ionic-covalent…
Exchange interaction strongly influences the long-range behaviour of localised electron orbitals and quantum tunneling amplitudes. It violates the oscillation theorem (creates extra nodes) and produces a power-law decay instead of the usual…
We demonstrate rotational excitation of molecular ions that are sympathetically cooled by laser-cooled atomic ions to a temperature as low as ca. 10 mK. The molecular hydrogen ions HD+ and the fundamental rotational transition $(v=0,\,…