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Low-energy electron collisions with O$_2$ molecules are studied using the fixed-bond R-matrix method. In addition to the O$_2$ ${X}^3\Sigma_{g}^-$ ground state, integrated cross sections are calculated for elecron collisions with the…

Chemical Physics · Physics 2008-12-18 Motomichi Tashiro , Keiji Morokuma , Jonathan Tennyson

Low-energy electron impact excitations of N$_2$ molecules are studied using the fixed-bond R-matrix method based on state-averaged complete active space SCF orbitals. Thirteen target electronic states of N$_2$ are included in the model…

Chemical Physics · Physics 2008-12-18 Motomichi Tashiro , Keiji Morokuma

Low-energy electron impact excitations of S_2 molecules are studied using the fixed-bond R-matrix method based on state-averaged complete active space SCF orbitals. Integral cross sections are calculated for elastic electron collision as…

Chemical Physics · Physics 2008-11-26 Motomichi Tashiro

We present benchmark integrated and differential cross-sections for electron collisions with H$_2$ using two different theoretical approaches, namely, the R-matrix and molecular convergent close-coupling (MCCC). This is similar to…

Chemical Physics · Physics 2020-08-31 T. Meltzer , J. Tennyson , Z. Mašín , M. C. Zammit , L. H. Scarlett , D. V. Fursa , I. Bray

Electron-impact cross sections for the dissociation process of vibrationally excited He2+ molecular ion, as a function of the incident electron energy are calculated for the dissociative transition X2\Sigma+u \to A2\Sigma+g by using the…

Plasma Physics · Physics 2015-06-29 R. Celiberto , K. L. Baluja , R. K. Janev , V. Laporta

The hydroxyl radical, OH, is an important component of many natural and technological plasmas but there is little available information on processes involving its collisions with low-energy electrons. Low-energy electron collisions with OH…

Atomic Physics · Physics 2019-09-04 Kalyan Chakrabarti , Vincenzo Laporta , Jonathan Tennyson

Resonant vibrational excitation cross sections and the corresponding rate coefficients for electron-N$_2$ collisions occurring through the N$_2^-(\textrm{X}\ ^2\Pi_g)$ resonant state are reviewed. New calculations are performed using…

Plasma Physics · Physics 2015-06-18 V. Laporta , D. A. Little , R. Celiberto , J. Tennyson

Aims: To calculate transition rates from ground and excited states in neutral oxygen atoms due to electron collisions for non-LTE modelling of oxygen in late-type stellar atmospheres, thus enabling reliable interpretation of oxygen lines in…

Astrophysics · Physics 2009-11-11 P. S. Barklem

State-by-state cross sections for dissociative electron attachment and electron-impact dissociation for molecular oxygen are computed using ab initio resonance curves calculated with the R-matrix method. When O2 is in its vibrational ground…

Plasma Physics · Physics 2015-01-09 V. Laporta , R. Celiberto , J. Tennyson

This paper presents a theoretical investigation of the cross sections for dissociative electron attachment and dissociative excitation processes in vibrationally excited CH radicals induced by electron impact. Resonant electron-CH…

Atomic Physics · Physics 2026-02-12 O. Abidi , I. Jendoubi , M. Telmini , R. Ghosh , K. Chakrabarti , V. Laporta

Resonant vibrational and rotation-vibration excitation cross sections for electron-CO scattering are calculated in the 0-10 eV energy range for all 81 vibrational states of CO, assuming that the excitation occur via the 2{\Pi} shape…

Chemical Physics · Physics 2012-08-14 V. Laporta , C. M. Cassidy , J. Tennyson , R. Celiberto

Electron-impact vi->vf vibrational excitations cross sections, involving rovibrationally excited N_{2}(v_{i}, J) and NO(v_{i}, J) molecules (fixed J), are calculated for collisions occurring through the nitrogen resonant electronic state…

Plasma Physics · Physics 2016-09-30 V. Laporta , R. Celiberto , J. M. Wadehra

A theoretical investigation of electron-D2 resonant collisions - via the low lying and the Rydberg states of D2- - is presented for vibrational excitation, dissociative electron attachment and dissociative excitation processes by using the…

Atomic Physics · Physics 2024-11-15 V Laporta , R Agnello , G Fubiani , I Furno , C Hill , D Reiter , F Taccogna

Calculations are performed for electron collision with the methylene molecular ion CH$_2^+$ in its bent equilibrium geometry, with the goal to obtain cross sections for electron impact excitation and dissociation. The polyatomic version of…

Plasma Physics · Physics 2024-05-22 K. Chakrabarti , J. Zs Mezei , I. F. Schneider , J. Tennyson

Electron collisions with O$_2$ at scattering energies below 1 eV are studied in the fixed-nuclei approximation for a range of internuclear separations using the ab initio molecular R-matrix method. The $^2\Pi_g$ scattering eigenphases and…

Chemical Physics · Physics 2013-02-26 Michal Tarana , Chris H. Greene

Vibrational-excitation cross sections of ground electronic state of carbon dioxide molecule by electron-impact through the CO2-(2\Pi) shape resonance is considered in the separation of the normal modes approximation. Resonance curves and…

Chemical Physics · Physics 2016-11-01 V. Laporta , J. Tennyson , R. Celiberto

The five J$\Pi$ levels within a $np^2$ or $np^4$ ground state complex provide an excellent testing ground for the comparison of theoretical line ratios with astrophysically observed values, in addition to providing valuable electron…

Earth and Planetary Astrophysics · Physics 2012-04-02 B. M. McLaughlin , Teck-Ghee Lee , J. A. Ludlow , E. Landi , S. D. Loch , M. S. Pindzola , C. P. Ballance

Emission lines from highly-excited states (n >= 5) of H- and He-like ions have been detected in astrophysical sources and fusion plasmas. For such excited states, R-matrix or distorted wave calculations for electron-impact excitation are…

Instrumentation and Methods for Astrophysics · Physics 2016-08-17 L. Fernandez-Menchero , G. Del Zanna , N. R. Badnell

We present a comprehensive study of electron collisions with calcium atoms by using the convergent \emph{B}-spline \emph{R}-matrix method. Elastic, excitation, and ionization cross sections were obtained for all transitions between the…

Atomic Physics · Physics 2019-01-16 Oleg Zatsarinny , Henry Parker , Klaus Bartschat

The spin-exchange effect in spin-polarized electron collisions with unpolarized open-shell molecules, O$_2$, B$_2$, S$_2$ and Si$_2$, has been studied by the R-matrix method with the fixed-bond approximation. All of these molecules have…

Chemical Physics · Physics 2009-11-13 Motomichi Tashiro
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