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Low-energy electron elastic scattering from ethylene oxide and thiirane

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Abstract

We present elastic integral cross sections for electron collisions with ethylene oxide and thiirane. The calculations were performed with R-matrix method in the static-exchange and static exchange polarization approximations for electron energies ranging from 0.01 to 15 eV. We found two shape resonances in the 2B1 and 2B2 symmetry in each molecule. We also detected one shape resonance in the 2A1 symmetry for thiirane. The positions of the resonances agree well with available results. We shed some light on the nature of the resonances of these two compounds together with molecular orbital calculations. The similarities and differences among the resonances are discussed.

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References

  1. L.G. Christophorou, Electron–molecule interactions and their applications (Academic Press, New York, 1984)

  2. R.K. Janev, H.W. Drawin, Atomic and plasma-material interaction processes in controlled thermonuclear fusion (Elsevier, Amsterdam, 1993)

  3. J.J. Perry, Y.H. Kim, J.L. Fox, H.S. Porter, J. Geophys. Res. 104, 16541 (1999)

    Article  ADS  Google Scholar 

  4. W.L. Morgan, Adv. At. Mol. Phys. 43, 79 (2000)

    Article  ADS  Google Scholar 

  5. B. Boudaïffa, P. Cloutier, D. Hunting, M.A. Huels, L. Sanche, Science 287, 1658 (2000)

    Article  ADS  Google Scholar 

  6. M. Allan, L. Andric, J. Chem. Phys. 105, 3559 (1996)

    Article  ADS  Google Scholar 

  7. C. Szmytkowski, A. Domaracka, P. Mozejko, J. Ptasińska-Denga, J. Chem. Phys. 130, 134316 (2009)

    Article  ADS  Google Scholar 

  8. J. Tennyson, Phys. Rep. 491, 29 (2010)

    Article  ADS  Google Scholar 

  9. P.G. Burke, K.A. Berrington, Atomic and molecular processes: an R-matrix approach (Institute of Physics, Bristol, 1993)

  10. J.M. Carr, P.G. Galiatsatos, J.D. Gorfinkiel, A.G. Harvey, M.A. Lysaght, D. Madden, Z. Maxšin, M. Plummer, J. Tennyson, H.N. Varambhia, Eur. Phys. J. D. 66, 1 (2012)

    Article  Google Scholar 

  11. K.D. Wang, S.C. Guo, J. Meng, X.T. Huang, Y.F. Wang, Phys. Rev. A. 94, 032703 (2016)

    Article  ADS  Google Scholar 

  12. K.D. Wang, H.X. Zhang, X.T. Huang, Y.F. Liu, J.F. Sun, Phys. Rev. A. 97, 012703 (2018)

    Article  ADS  Google Scholar 

  13. M.A. Morrison, Adv. At. Mol. Phys. 24, 51 (1988)

    Article  ADS  Google Scholar 

  14. F.A. Gianturco, A. Jain, Phys. Rep. 143, 347 (1986)

    Article  ADS  Google Scholar 

  15. N. Sanna, F.A. Gianturco, Comput. Phys. Commun. 114, 142 (1998)

    Article  ADS  Google Scholar 

  16. A. Faure, J. D. Gorfinkiel, L. A. Morgan, J. Tennyson, Comput. Phys. Commun. 144, 224 (2002)

    Article  ADS  Google Scholar 

  17. B.M. Nestmann, R.K. Nesbet, S.D. Peyerimhoff, J. Phys. B: At. Mol. Opt. Phys. 24, 5133 (1991)

    Article  ADS  Google Scholar 

  18. NIST, Computational Chemistry Comparison and Benchmark Database, Available at: http://cccbdb.nist.gov

  19. R. Zhang, A. Fature, J. Tennyson, Phys. Scr. 80, 015301 (2009)

    Article  ADS  Google Scholar 

  20. A.G. Sanz, M.C. Fuss, F. Blanco, Z. Mašín, J.D. Gorfinkiel, R.P. McEachran, M.J. Brunger, G. García, Phys. Rev. A. 88, 062704 (2013)

    Article  ADS  Google Scholar 

  21. M.W. Schmidt, K.K. Baldridge, J.A. Boatz, S.T. Elbert, M.S. Gordon, J.H. Jensen, S. Koseki, N. Matsunaga, K.A. Nguyen, S.J. Su, T.L. Windus, M. Dupuis, J.A. Montgomery, J. Comput. Chem. 14, 1347 (1993)

    Article  Google Scholar 

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Correspondence to Kedong Wang.

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Wang, K., Li, X., Zhang, H. et al. Low-energy electron elastic scattering from ethylene oxide and thiirane. Eur. Phys. J. D 72, 68 (2018). https://doi.org/10.1140/epjd/e2018-80786-6

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  • DOI: https://doi.org/10.1140/epjd/e2018-80786-6

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