Ke-dong Wang, Ju Meng. Elastic Low-Energy Electron Collisions with Methanethiol[J]. Chinese Journal of Chemical Physics , 2015, 28(6): 716-720. doi: 10.1063/1674-0068/28/cjcp1505094
Citation: Ke-dong Wang, Ju Meng. Elastic Low-Energy Electron Collisions with Methanethiol[J]. Chinese Journal of Chemical Physics , 2015, 28(6): 716-720. doi: 10.1063/1674-0068/28/cjcp1505094

Elastic Low-Energy Electron Collisions with Methanethiol

doi: 10.1063/1674-0068/28/cjcp1505094
Funds:  This work is supported by the Henan Fundamental and Advanced Research Project (No.142300410022), the Foundation of Henan Educational Committee (No.2011A140015 and No.12A140006), the National Development Fund of Henan Normal University (No.2012PL02), and the Young Key Teacher Training Fund of Henan Normal University.
  • Received Date: 2015-05-13
  • We report ab initio scattering calculations results of electron-methanethiol collisions using R-matrix approach within the static-exchange and static-exchange-polarization approximations. The calculated elastic integral cross sections are in agreement with the experimental data. Two shape resonances of 2A' symmetry located at 4.06 and 8.32 eV are detected within static-exchange-polarization model. For this dipole molecule, Born-closure procedure was used to account for the higher partial waves (l>4) for the convergence of the cross section. The effective collision frequencies over a wide electron temperature range (200?30000 K) are calculated using the data of the momentum-transfer cross section.
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    沈阳化工大学材料科学与工程学院 沈阳 110142

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Elastic Low-Energy Electron Collisions with Methanethiol

doi: 10.1063/1674-0068/28/cjcp1505094
Funds:  This work is supported by the Henan Fundamental and Advanced Research Project (No.142300410022), the Foundation of Henan Educational Committee (No.2011A140015 and No.12A140006), the National Development Fund of Henan Normal University (No.2012PL02), and the Young Key Teacher Training Fund of Henan Normal University.

Abstract: We report ab initio scattering calculations results of electron-methanethiol collisions using R-matrix approach within the static-exchange and static-exchange-polarization approximations. The calculated elastic integral cross sections are in agreement with the experimental data. Two shape resonances of 2A' symmetry located at 4.06 and 8.32 eV are detected within static-exchange-polarization model. For this dipole molecule, Born-closure procedure was used to account for the higher partial waves (l>4) for the convergence of the cross section. The effective collision frequencies over a wide electron temperature range (200?30000 K) are calculated using the data of the momentum-transfer cross section.

Ke-dong Wang, Ju Meng. Elastic Low-Energy Electron Collisions with Methanethiol[J]. Chinese Journal of Chemical Physics , 2015, 28(6): 716-720. doi: 10.1063/1674-0068/28/cjcp1505094
Citation: Ke-dong Wang, Ju Meng. Elastic Low-Energy Electron Collisions with Methanethiol[J]. Chinese Journal of Chemical Physics , 2015, 28(6): 716-720. doi: 10.1063/1674-0068/28/cjcp1505094

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