NDLI: Electron-impact study of SiN using the R-matrix method

Content Provider	Springer Nature Link
Author	Kaur, Savinder Baluja, Kasturi L.
Copyright Year	2015
Abstract	We have carried out a comprehensive study of electron-impact on an open-shell SiN molecule by using the R-matrix method. Elastic (integrated and differential), momentum-transfer, excitation and ionization cross sections, along with efffective collision frequencies over a wide electron temperature range (100–100 000 K) have been presented. The target states are represented by including correlations via a configuration interaction formalism. The results of the static-exchange, one-state and 28-state close-coupling approximation are presented. Our study has detected a shape resonance, two core-excited and three Feshbach resonances in the 28-state model. All calculations are done in C 2v point group. We detect a stable bound state of SiN− of 1 A 1 symmetry having configuration ...7σ 2, 1π 4,2π 4 with a Vertical Electronic Affinity value of 2.86 eV which is in good agreement with the experimental (adiabatic) value of 2.949 ± 0.008 eV. The ionization cross sections are calculated using the Binary-Encounter-Bethe (BEB) Model in which molecular orbitals at self-consistent Hartree-Fock (HF) level are used to calculate kinetic and binding energies of the occupied molecular orbitals. For scattering calculations we have used partial waves up to l = 4 to represent continuum electron in our R-matrix approach. A Born top-up procedure is invoked for dipole-allowed transitions to account for the contribution of partial waves higher than l = 4 to obtain converged cross-sections.
Starting Page	1
Ending Page	11
Page Count	11
File Format	PDF
ISSN	14346060
Journal	The European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics
Volume Number	69
Issue Number	3
e-ISSN	14346079
Language	English
Publisher	Springer Berlin Heidelberg
Publisher Date	2015-03-24
Publisher Place	Berlin, Heidelberg
Access Restriction	One Nation One Subscription (ONOS)
Subject Keyword	Atomic and Molecular Collisions Atomic, Molecular, Optical and Plasma Physics Physical Chemistry Quantum Physics Quantum Information Technology, Spintronics Spectroscopy/Spectrometry Nonlinear Dynamics
Content Type	Text
Resource Type	Article
Subject	Atomic and Molecular Physics, and Optics

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1	Ministry of Education (GoI), Department of Higher Education	Sanctioning Authority	https://www.education.gov.in/ict-initiatives
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3	National Digital Library of India Office, Indian Institute of Technology Kharagpur	The administrative and infrastructural headquarters of the project	Dr. B. Sutradhar bsutra@ndl.gov.in
4	Project PI / Joint PI	Principal Investigator and Joint Principal Investigators of the project	Dr. B. Sutradhar bsutra@ndl.gov.in Prof. Saswat Chakrabarti will be added soon
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