scholarly journals Cross Sections and Rate Coefficients for Rotational Excitation of HeH+ Molecule by Electron Impact

Atoms ◽  
2018 ◽  
Vol 6 (3) ◽  
pp. 49 ◽  
Author(s):  
Marjan Khamesian ◽  
Mehdi Ayouz ◽  
Jasmeet Singh ◽  
Viatcheslav Kokoouline

Cross sections for rotational excitation and de-excitation of the HeH+ ion by an electron impact are computed using a theoretical approach that combines the UK R-matrix code and the multi-channel quantum defect theory. The thermally-averaged rate coefficients derived from the obtained cross sections are fitted to an analytical formula valid for a wide range of temperatures.

Atoms ◽  
2021 ◽  
Vol 9 (3) ◽  
pp. 62
Author(s):  
Mehdi Ayouz ◽  
Alexandre Faure ◽  
Jonathan Tennyson ◽  
Maria Tudorovskaya ◽  
Viatcheslav Kokoouline

Cross-sections and thermally averaged rate coefficients for vibration (de-)excitation of a water molecule by electron impact are computed; one and two quanta excitations are considered for all three normal modes. The calculations use a theoretical approach that combines the normal mode approximation for vibrational states of water, a vibrational frame transformation employed to evaluate the scattering matrix for vibrational transitions and the UK molecular R-matrix code. The interval of applicability of the rate coefficients is from 10 to 10,000 K. A comprehensive set of calculations is performed to assess uncertainty of the obtained data. The results should help in modelling non-LTE spectra of water in various astrophysical environments.


Atoms ◽  
2019 ◽  
Vol 7 (3) ◽  
pp. 67 ◽  
Author(s):  
Mehdi Ayouz ◽  
Viatcheslav Kokoouline

Cross sections and thermal rate coefficients for rotational and vibration excitation of the four stable isotopologues of the 4 HeH + ion by electron impact are presented. The data are calculated using a previously developed theoretical approach. The obtained rate coefficients are fitted to analytical formulas with the 10–10,000 K interval of applicability. These present results could be useful in tokamak plasma and astrophysical modeling and can help in the detection of these species in the interstellar medium.


Atoms ◽  
2021 ◽  
Vol 9 (4) ◽  
pp. 90
Author(s):  
Rusudan I. Golyatina ◽  
Sergey A. Maiorov

The paper presents an analysis of data on the cross sections of electron impact ionization of atoms of alkali metals, hydrogen, noble gases, some transition metals and Al, Fe, Ni, W, Au, Hg, U. For the selected sets of experimental and theoretical data, an optimal analytical formula is found and approximation coefficients are calculated. The obtained semi-empirical formula reproduces the values of the ionization cross sections in a wide range of energies with an accuracy of the order of error of the available theoretical and experimental data.


2018 ◽  
Vol 620 ◽  
pp. A188 ◽  
Author(s):  
Valdas Jonauskas

Electron-impact single- and double-ionization cross sections and Maxwellian rate coefficients are presented for the carbon atom. Scaling factors are introduced for the electron-impact excitation and ionization cross sections obtained in the distorted wave (DW) approximation. It is shown that the scaled DW cross sections provide good agreement with measurements for the single ionization of the C atom and C1+ ion. The direct double-ionization (DDI) process is studied using a multi-step approach. Ionization–ionization, excitation–ionization–ionization, and ionization–excitation–ionization branches are analyzed. It is demonstrated that the three-step processes contribute ≼40% of the total DDI cross sections for the case where one of the electrons takes all of the excess energy after the first ionization process.


Atoms ◽  
2019 ◽  
Vol 7 (3) ◽  
pp. 82 ◽  
Author(s):  
Zsolt J. Mezei ◽  
Michel D. Epée Epée ◽  
Ousmanou Motapon ◽  
Ioan F. Schneider

We used the multichannel quantum defect theory to compute cross sections and rate coefficients for the dissociative recombination of CH + initially in its lowest vibrational level v i + = 0 with electrons of incident energy below 0.2 eV. We have focused on the contribution of the 2 2 Π state which is the main dissociative recombination route at low collision energies. The final cross section is obtained by averaging the relevant initial rotational states ( N i + = 0 , ⋯ , 10 ) with a 300 K Boltzmann distribution. The Maxwell isotropic rate coefficients for dissociative recombination are also calculated for different initial rotational states and for electronic temperatures up to a few hundred Kelvins. Our results are compared to storage-ring measurements.


RSC Advances ◽  
2014 ◽  
Vol 4 (109) ◽  
pp. 63817-63823 ◽  
Author(s):  
Biplab Goswami ◽  
Rahla Naghma ◽  
Bobby Antony

R-matrix and SCOP methods are used at low and high energies respectively to find e-GeF4 TCS. Electronic and rotational excitation, momentum transfer and elastic differential cross sections are also calculated. A shape resonance is observed at 5.7 eV.


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