相关论文: Quantum scattering of hot H/D on CO$_2$: Cross sec…
A five-dimensional coupled states (5D-CS) approximation is used to compute cross sections and rate coefficients for CO+H2 collisions. The 5D-CS calculations are benchmarked against accurate six-dimensional close-coupling (6D-CC)…
New quantum scattering calculations for rotational deexcitation transitions of CO induced by H collisions using two CO-H potential energy surfaces (PESs) from Shepler et al. (2007) are reported. State-to-state rate coefficients are computed…
This work presents theoretical studies which combine aspects of combustion and explosion theory with exoplanetary atmospheric science. Super Earths could possess a large amount of molecular hydrogen depending on disk, planetary and stellar…
The H$_2$+H$_2$ system has long been considered as a benchmark system for ro-vibrational energy transfer in bimolecular collisions. However, most studies thus far have focused on collisions involving H$_2$ molecules in the ground…
Thermal dissociation and recombination of molecular hydrogen, H_2, in the atmospheres of ultra-hot Jupiters (UHJs) has been shown to play an important role in global heat redistribution. This, in turn, significantly impacts their planetary…
Collisional (de-)excitation of H$_{2}$ by helium plays an important role in the thermal balance and chemistry of various astrophysical environments, making accurate rate coefficients essential for the interpretation of observations of the…
We present calculated rate coefficients for ro-vibrational transitions of CO in collisions with H atoms for a gas temperature range of 10 K $\leq T \leq$ 3000 K, based on the recent three-dimensional ab initio H-CO interaction potential of…
A primary goal of characterizing exoplanet atmospheres is to constrain planetary bulk properties, such as their metallicity, C/O ratio, and intrinsic heat. However, there are significant uncertainties in many aspects of atmospheric physics,…
Light-matter interactions lie at the heart of our exploration of exoplanetary atmospheres. Interpreting data obtained by remote sensing is enabled by meticulous, time- and resource-consuming work aiming at deepening our understanding of…
The ion escape of Mars' CO$_2$ atmosphere caused by its dissociation products C and O atoms is {simulated} from present time to $\sim 4.1$ billion years ago (Ga) by {numerical models of the upper atmosphere and its interaction with the…
Rate coefficients for rotational transitions in H_2 induced by H_2 impact are presented. Extensive quantum mechanical coupled-channel calculations based on a recently published (H_2)_2 potential energy surface were performed. The potential…
Theoretical rotational quenching cross sections and rate coefficients of ortho- and para-H$_2$O due to collisions with He atoms are presented. The complete angular momentum close-coupling approach as well as the coupled-states approximation…
Collisional excitation rate coefficients play an important role in the dynamics of energy transfer in the interstellar medium. In particular, accurate rotational excitation rates are needed to interpret microwave and infrared observations…
We consider super-Earth sized planets which have a water mass fraction that is large enough to form an external mantle composed of high pressure water ice polymorphs and that lack a substantial H/He atmosphere. We consider such planets in…
A major open question in exoplanet research is whether secondary atmospheres are rare around Earth-sized rocky exoplanets. In this work we determine the distance at which an Earth-sized planet orbiting a variety of stellar hosts could…
A new database of collisional rate coefficients for transitions between the rotational states of H$_2$O collided with H$_2$ background gas is developed. The goal is to expand over the other existing databases in terms of the rotational…
A recent modeling study of brightness ratios for CO rotational transitions in gas typical of the diffuse ISM by Liszt found the role of H collisions to be more important than previously assumed. This conclusion was based on quantum…
The atmospheres of synchronously rotating exoplanets are intrinsically three-dimensional, and fast vertical and horizontal winds are expected to mix the atmosphere, driving the chemical composition out of equilibrium. Due to the longer…
We report the results of quantum scattering calculations for the O($^3$P)+H$_2$ reaction for a range of collision energies from 0.4 to 4.4 eV, important for astrophysical and atmospheric processes. The total and state-to-state reactive…
We consider the spin-exchange (SE) cross section in electron scattering from $^3$He\,{\scriptsize II}, which drives the hyperfine-changing \hbox{3.46 cm} (8.665 GHz) line transition. Both the analytical quantum defect method --- applicable…