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Production of the Q2 doubly excited states of the hydrogen molecule by electron impact in a single step

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Abstract

We calculate the single step cross sections for excitation of Q 2 states of H2 and its subsequent dissociation. The cross section calculations were performed within the first Born approximation and the electronic wave functions were obtained via State-Averaged Multiconfigurational Self-Consistent Field followed by Configuration Interaction. We have assumed autoionization is the only important process competing with dissociation into neutral atoms. We have estimated its probability through a semi classical approach and compared with results of literature. Special attention was given to the Q 2 1Σg +(1) state which, as has been shown in a previous work, may dissociate into H(2sσ) + H(2sσ) fragments (some figures in this article are in colour only in the electronic version).

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References

  1. R.N. Compton, J.N. Bardsley, in Electron-Molecule Collisions, edited by I. Shimamura, K. Takayanagi (Plenum, New York, 1984), Chap. 4

  2. X. Urbain, A. Giusti-Suzor, D. Fussen, C. Kubach, J. Phys. B 19, L273 (1986)

    Article  ADS  Google Scholar 

  3. B.I. Schneider, L.A. Collins, Phys. Rev. A 28, 166 (1983)

    Article  ADS  Google Scholar 

  4. K. Nakashima, H. Takagi, H. Nakamura, J. Chem. Phys. 86, 726 (1987)

    Article  ADS  Google Scholar 

  5. L.A. Collins, B.I. Schneider, C.J. Noble, C.W. McCurdy, S. Yabushita, Phys. Rev. Lett. 57, 980 (1986)

    Article  ADS  Google Scholar 

  6. H. Feshbach, Ann. Phys. NY 5, 357 (1958)

    Article  ADS  MathSciNet  Google Scholar 

  7. R. Browning, J. Fryar, J. Phys. B 6, 364 (1973)

    Article  ADS  Google Scholar 

  8. C. Bottcher, K. Docken, J. Phys. B 7, L5 (1974)

    Article  ADS  Google Scholar 

  9. S.L. Guberman, J. Chem. Phys. 78, 1404 (1983)

    Article  ADS  Google Scholar 

  10. B.R. Brooks, H.F. Schaefer, J. Chem. Phys. 70, 5092 (1979)

    Article  ADS  Google Scholar 

  11. J. Tennyson, C.J. Noble, J. Phys. B 18, 155 (1985)

    Article  ADS  Google Scholar 

  12. S.I. Nikitin, V.N. Ostrowskii, N.V. Prudov, Sov. Phys. J. Exp. Theor. Phys. 64, 745 (1986)

    Google Scholar 

  13. R.C. Forrey, S. Jonsell, A. Saenz, P. Froelich, A. Dalgarno, Phys. Rev. A 67, 040701 (2003)

    Article  ADS  Google Scholar 

  14. R.C. Forrey, A. Dalgarno, Y.V. Vanne, A. Saenz, P. Froelich, Phys. Rev. A 76, 052709 (2007)

    Article  ADS  Google Scholar 

  15. I. Sánchez, F.Martín, J. Chem. Phys. 110, 6702 (1999)

    Article  ADS  Google Scholar 

  16. S. Jonsell, A. Saenz, P. Froelich, R.C. Forrey, R. Côté, A. Dalgarno, Phys. Rev. A 65, 042501 (2002)

    Article  ADS  Google Scholar 

  17. Y.V. Vanne, A. Saenz, A. Dalgarno, R.C. Forrey, P. Froelich, S. Jonsell, Phys. Rev. A 73, 062706 (2006)

    Article  ADS  Google Scholar 

  18. J.D. Bosek, J.E. Furst, T.J. Gay, H. Gould, L.D.A. Kilcoyne, J.R. Machacek, F.Martín, K.W. McLaughlin, J.L. Sanz-Vicario, J. Phys. B 39, 4871 (2006)

    Article  ADS  Google Scholar 

  19. C. Cornaggia, D. Normand, J. Morellec, G. Mainfray, C. Manus, Phys. Rev. A 34, 207 (1986)

    Article  ADS  Google Scholar 

  20. J.O. Gaardsted, T. Andersen, H.K. Haugen, J.E. Hansen, N. Vaeck, J. Phys. B 24, 953 (1991)

    Article  Google Scholar 

  21. L. Ishikawa, T. Odagiri, K. Yachi, N. Ohno, T. Tsuchida, M. Kitajima, N. Kouchi, J. Phys. B 44, 065203 (2011)

    Article  ADS  Google Scholar 

  22. T. Odagiri, N. Uemura, K. Koyama, M. Ukai, N. Kouchi, Y. Hatano, J. Phys. B 28, L465 (1995)

    Article  ADS  Google Scholar 

  23. J. Robert, F. Zappa, de C.R. Carvalho, G. Jalbert, R.F. Nascimento, A. Trimeche, O. Dulieu, A. Medina, C. Carvalho, de Castro N.V. Faria, Phys. Rev. Lett. 111, 183203 (2013)

    Article  ADS  Google Scholar 

  24. L.O. Santos, A.B. Rocha, R.F. Nascimento, de Castro N.V. Faria, G. Jalbert, J. Phys. B 48, 185104 (2015)

    Article  ADS  Google Scholar 

  25. J. Fernández, F.Martín, New J. Phys. 11, 043020 (2009)

    Article  Google Scholar 

  26. W.H. Miller, J. Chem. Phys. 52, 3563 (1970)

    Article  ADS  Google Scholar 

  27. A.D. Cronin, J. Schmiedmayer, D.E. Pritchard, Rev. Mod. Phys. 81, 1051 (2009)

    Article  ADS  Google Scholar 

  28. M. Inokuti, Rev. Mod. Phys. 43, 297 (1970)

    Article  ADS  Google Scholar 

  29. M. Born, J.R. Oppenheimer, Ann. Phys. 389, 457 (1927)

    Article  Google Scholar 

  30. I. Borges Jr., C.E. Bielschowsky, J. Phys. B 33, 1713 (2000)

    Article  ADS  Google Scholar 

  31. I. Sánchez, F.Martín, J. Chem. Phys. 106, 7720 (1997)

    Article  ADS  Google Scholar 

  32. I. Borges Jr., C.E. Bielschowsky, Chem. Phys. Lett. 342, 411 (2001)

    Article  ADS  Google Scholar 

  33. R.J. Le Roy, R.G. Macdonald, G. Burns, J. Chem. Phys. 65, 1685 (1976)

    Article  Google Scholar 

  34. M.S. Gordon, M.W. Schmidt, Advances in electronic structure theory: GAMESS a decade later, in Theory and Applications of Computational Chemistry: the first forty years, edited by C.E. Dykstra, G. Frenking, K.S. Kim, G.E. Scuseria (Elsevier, Amsterdam, 2005), pp. 1167–1189

  35. 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. Su, T.L. Windus, M. Dupuis, J.A. Montgomery, J. Comput. Chem. 14, 1347 (1993)

    Article  Google Scholar 

  36. T.H. Dunning, J. Chem. Phys. 90, 1007 (1989)

    Article  ADS  Google Scholar 

  37. H. Nakano, J. Chem. Phys. 99, 7982 (1993)

    Article  ADS  Google Scholar 

  38. A.H. Carter, Classical and Statistical Thermodynamics (Prentice Hall, Inc., New Jersey, 2001)

  39. N.M. Cann, A.J. Thakkar, J. Elec. Spec. 123, 143 (2002)

    Article  Google Scholar 

  40. M. Glass-Maujean, H. Schmoranzer, J. Phys. B 38, 1093 (2005)

    Article  ADS  Google Scholar 

  41. A.U. Hazi, K. Wiemers, J. Chem. Phys. 66, 596 (1977)

    Article  Google Scholar 

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Authors and Affiliations

  1. Instituto de Física, Universidade Federal do Rio de Janeiro, Cx. Postal 68528, 21941-972, Rio de Janeiro, Brazil

    Leonardo O. Santos, Nelson Velho de Castro Faria & Ginette Jalbert

  2. Instituto de Qumica, Universidade Federal do Rio de Janeiro, 21941-909, Rio de Janeiro, Brazil

    Alexandre B. Rocha

Authors
  1. Leonardo O. Santos
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  2. Alexandre B. Rocha
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  3. Nelson Velho de Castro Faria
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  4. Ginette Jalbert
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Correspondence to Leonardo O. Santos.

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Santos, L.O., Rocha, A.B., Faria, N.V. et al. Production of the Q2 doubly excited states of the hydrogen molecule by electron impact in a single step. Eur. Phys. J. D 71, 46 (2017). https://doi.org/10.1140/epjd/e2017-70405-7

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  • DOI: https://doi.org/10.1140/epjd/e2017-70405-7

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