Singh, J;
Tennyson, J;
(2022)
R-matrix calculation electron collisions with HCN and HNC molecules.
The European Physical Journal D
, 76
, Article 242. 10.1140/epjd/s10053-022-00575-4.
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Abstract
Low energy electron collisions with hydrogen cyanide and hydrogen isocyanide molecules are studied using the R-matrix method. Scattering calculations are carried out using static exchange (SE), static exchange plus polarization (SEP) and close-coupling (CC) models. Electronic excitation cross sections are reported for HCN in our best 24-state close-coupling model with 17 virtual orbitals and for HNC using 25-state close-coupling model in which 18 virtual orbitals are included to account for polarization and correlation effects. These effects are necessary to obtain accurate results and also responsible for shift in the positions of 2Π shape resonance (in both HCN and HNC) to lower energy compared to previous studies. These resonances are dissociative in nature. Complex resonance potential energy curves are produced for HCN and found to give narrower widths than previous theoretical results. Ionization cross section computed using Binary Encounter Bethe (BEB) method. Differential cross section (DCS) at 2, 4, 6, 8 and 10 eV and momentum transfer cross sections (MTCS) are also reported using 2-state CC model for HCN. The results obtained are useful for various research fields including plasma modelling and astrophysics.
| Type: | Article |
|---|---|
| Title: | R-matrix calculation electron collisions with HCN and HNC molecules |
| Open access status: | An open access version is available from UCL Discovery |
| DOI: | 10.1140/epjd/s10053-022-00575-4 |
| Publisher version: | https://doi.org/10.1140/epjd/s10053-022-00575-4 |
| Language: | English |
| Additional information: | This version is the author accepted manuscript. For information on re-use, please refer to the publisher’s terms and conditions. |
| UCL classification: | UCL UCL > Provost and Vice Provost Offices > UCL BEAMS UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Physics and Astronomy |
| URI: | https://discovery-pp.ucl.ac.uk/id/eprint/10162640 |
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