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The chemical dynamics scene is the most important application of computer simulation. We show that electrons jump between potential holes of different depths (new molecular orbits, hybrid atomic orbits with different energies) under the…

Quantum Physics · Physics 2023-10-17 Chen Ran , Yuri Ozhigov

Ultrafast optical excitation of metals induces a non-equilibrium energy distribution in the electronic system, with a characteristic step-structure determined by Pauli blocking. On a femtosecond timescale, electron-electron scattering…

The relevance of the electronic swap in the stopping process of proton by hydrogen is investigated. To this end, the Classical Trajectory Monte-Carlo method is used to calculate the k-stopping cross-section, i.e. the stopping cross-section…

Atomic Physics · Physics 2009-08-21 J. M. Rodriguez-Aguirre , E. R. Custidiano , M. M. Jakas

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…

Chemical Physics · Physics 2015-06-22 Marko Gacesa , Vasili Kharchenko

We have developed a simple analytic formula that well describes quadrupole $l$-changing collisions of the form $nl \rightarrow nl'$, as confirmed by comparison with numerical quantal Born calculations obtained with the program autostructure…

Atomic Physics · Physics 2025-04-10 E. Deliporanidou , N. R. Badnell , P. J. Storey , G. Del Zanna , G. J. Ferland

The influence of inelastic hydrogen atom collisions on non-LTE spectral line formation has been, and remains to be, a significant source of uncertainty for stellar abundance analyses, due to the difficulty in obtaining accurate data for…

Solar and Stellar Astrophysics · Physics 2015-05-27 P. S. Barklem , A. K. Belyaev , M. Guitou , N. Feautrier , F. X. Gadea , A. Spielfiedel

Theoretical antiproton and proton cross sections for ionization and excitation of hydrogen molecules as well as energy spectra of the ionized electrons were calculated in the impact-energy range from 8 to 4000 keV. The cross sections were…

Atomic Physics · Physics 2009-11-13 Armin Lühr , Alejandro Saenz

A new statistical model for the combined effects of decoherence, energy redistribution and dissipation on electron transport in large quantum systems is introduced. The essential idea is to consider the electron phase information to be lost…

Mesoscale and Nanoscale Physics · Physics 2018-04-26 Thomas Stegmann , Orsolya Ujsághy , Dietrich E. Wolf

Charge transfer is a fundamental process that underlies a multitude of phenomena in chemistry and biology. Recent advances in observing and manipulating charge and heat transport at the nanoscale, and recently developed techniques for…

Mesoscale and Nanoscale Physics · Physics 2016-07-26 Galen T. Craven , Abraham Nitzan

Total cross sections for single ionization and excitation of molecular hydrogen by antiproton impact are presented over a wide range of impact energy from 1 keV to 6.5 MeV. A nonpertubative time-dependent close-coupling method is applied to…

Atomic Physics · Physics 2015-05-14 Armin Lühr , Alejandro Saenz

We discuss diphoton semi(exclusive) production in ultraperipheral $PbPb$ collisions at energy of $\sqrt{s_{NN}}=$ 5.5 TeV (LHC). The nuclear calculations are based on equivalent photon approximation in the impact parameter space. The cross…

Nuclear Theory · Physics 2017-04-05 Antoni Szczurek , Mariola Klusek-Gawenda , Piotr Lebiedowicz , Wolfgang Schäfer

We investigate the possibility of stochastic acceleration of background low-energy electrons by turbulent plasma waves. We consider the resonant interaction of the charged particles with all branches of the transverse plasma waves…

Astrophysics · Physics 2009-10-28 Julia M. Pryadko , Vahe Petrosian

A quasi classical approximation to quantum mechanical scattering in the Moeller formalism is developed. While keeping the numerical advantage of a standard Classical--Trajectory--Monte--Carlo calculation, our approach is no longer…

Atomic Physics · Physics 2009-11-07 Tihamer Geyer , Jan M. Rost

When the hydrogen atom moves, the proton current generates a magnetic field which interacts with the hydrogen electron. A simple analyze shows that this interaction between the hydrogen momentum and the electron is of order of…

Atomic Physics · Physics 2018-08-29 A. I. Agafonov

We report extensive theoretical calculations on the rotation-inversion excitation of interstellar ammonia (NH3) due to collisions with atomic and molecular hydrogen (both para- and ortho-H2). Close-coupling calculations are performed for…

Chemical Physics · Physics 2018-11-29 N. Bouhafs , C. Rist , F. Daniel , F. Dumouchel , F. Lique , L. Wiesenfeld , A. Faure

Electron-atom collisions in warm dense plasmas are crucial for astrophysics and controlled fusion research, where calculating short-range scattering matrices under screening plasma potentials is essential. While electron-neutral atom…

Atomic Physics · Physics 2026-01-28 Chao Wu , Wen Hao Xia , Yong Wu , Jun Yan , Ming Li , Jian Guo Wang , Xiang Gao

We show that a Gaussian Process model can be combined with a small number (of order 100) of scattering calculations to provide a multi-dimensional dependence of scattering observables on the experimentally controllable parameters such as…

Chemical Physics · Physics 2015-08-19 Jie Cui , Roman V. Krems

At lower energies, the resonances in scattering experiments are often isolated. The crucial parameter is the ratio of average resonance width and average mean level spacing. Towards larger energies, this parameter grows, because the…

Statistical Mechanics · Physics 2025-03-31 Simon Köhnes , Jiongning Che , Barbara Dietz , Thomas Guhr

We present the largest 3D Particle-in-Cell shearing-box simulations of turbulence driven by the magnetorotational instability, for the first time employing the realistic proton-to-electron mass ratio. We investigate the energy partition…

High Energy Astrophysical Phenomena · Physics 2025-03-24 Evgeny A. Gorbunov , Fabio Bacchini , Vladimir Zhdankin , Gregory R. Werner , Mitchell C. Begelman , Dmitri A. Uzdensky

The change of the vibrational energy within a molecule after collisions with another molecule plays an essential role in the evolution of molecular internal energy distributions, which is also the limiting process in the relaxation of the…

Chemical Physics · Physics 2024-09-16 Xiaorui Zhao , Xuefei Xu , Haitao Xu