相关论文: MOL-D: A Collisional Database and Web Service with…
Molecular dynamics (MD) simulations are powerful tools for elucidating the macroscopic physical properties of materials from microscopic atomic behaviors. However, the massive, high-dimensional datasets generated by MD simulations pose a…
Quantitative spectroscopy of molecular hydrogen has generated substantial demand, leading to the accumulation of diverse elementary-process data encompassing radiative transitions, electron-impact transitions, predissociations, and…
Interpretation of solar polarization spectra accounting for partial or complete frequency redistribution requires data on various collisional processes. Data for depolarization and polarization transfer are needed but often missing, while…
Molecular line data for the rotational transitions of a number of astrophysically interesting species have been collected and are made publically available through the www. These data, including energy levels, statistical weights, Einstein…
We studied the recollision dynamics between the electrons and D$_2^+$ ions following the tunneling ionization of D$_2$ molecules in an intense short pulse laser field. The returning electron collisionally excites the D$_2^+$ ion to excited…
The MolMod database is presented, which is openly accessible at http://molmod.boltzmann-zuse.de/ and contains presently intermolecular force fields for over 150 pure fluids. It was developed and is maintained by the Boltzmann-Zuse Society…
The catalog section of the Cologne Database for Molecular Spectroscopy, CDMS, contains mostly rotational transition frequencies, with auxiliary information, of molecules observable in space. The frequency lists are generated mostly from…
A phenomenological analysis of diffractive dissociation of nuclei in proton-nucleus and meson-nucleus collisions is presented. The theoretical approach employed here is able to take into account at once data of the HELIOS and EHS/NA22…
Photodissociation is the dominant removal process of molecules in any region exposed to intense ultraviolet (UV) radiation. This includes diffuse and translucent interstellar clouds, dense photon-dominated regions, high velocity shocks, the…
We provide cross sections and Maxwell rate coefficients for reactive collisions of slow electrons with BeH$^+$ ions on all the eighteen vibrational levels ($X{^{1}\Sigma^{+}},v_{i}^{+}=0,1,2,\dots,17$) using a Multichannel Quantum Defect…
Our knowledge about the "cold" Universe often relies on molecular spectra. A general property of such spectra is that the energy level populations are rarely at local thermodynamic equilibrium. Solving the radiative transfer thus requires…
Photon initiated chemistry, \textit{i.e.} the interaction of light with chemical species, is a key factor in the evolution of the atmosphere of exoplanets. For planets orbiting stars in UV-rich environments, photodissociation induced by…
We describe a method to compute photon-matter interaction and atomic dynamics with X-ray lasers using a hybrid code based on classical molecular dynamics and collisional-radiative calculations. The forces between the atoms are dynamically…
Cross sections and rate coefficients for rovibronic excitation of the CH$^+$ ion by electron impact and dissociative recombination of CH$^+$ with electrons are evaluated using a theoretical approach combining an R-matrix method and…
A close coupling quantum-mechanical calculation is performed for rotational energy transfer in a HD+HD collision at very low energy, down to the ultracold temperatures: $T \sim 10^{-8}$ K. A global six-dimensional H$_2$-H$_2$ potential…
Molecular clouds (MCs) are the birthplaces of new stars in galaxies. A key component of MCs are photodissociation regions (PDRs), where far-ultraviolet radiation plays a crucial role in determining the gas's physical and chemical state.…
We introduce ColliderML - a large, open, experiment-agnostic dataset of fully simulated and digitised proton-proton collisions in High-Luminosity Large Hadron Collider conditions ($\sqrt{s}=14$ TeV, mean pile-up $\mu = 200$). ColliderML…
The paper presents cross sections for collisions of neutral atoms/molecules with a charged nanoparticle, which is the source of the dipole potential. The accuracy of the orbital limited motion (OLM) approximation is estimated. It is shown…
The chemi-ionization (CI) processes in atom-Rydberg-atom collisions are investigated in this contribution. The rate coefficients for CI processes in $\textrm{Li}^{*}(n) + \textrm{Na}$, $\textrm{Li}^{*}(n) + \textrm{Li}$, $\textrm{Na}^{*}(n)…
A new two-dimensional axi-symmetric ultraviolet radiative transfer code is presented, which is used to calculate photodissociation and ionization rates for use in chemistry models of flaring circumstellar disks. Scattering and absorption of…