- Physical Review Journals
All JournalsPhysics Magazine
Access Provided by Xinjiang University

Physical Review A

Export citation

Export citation

Choose format for download:

Download Citation
  • Access by Xinjiang University

Unified treatment of resonant and nonresonant mechanisms in dissociative recombination: Benchmark study of CH+

Joshua Forer1,2, Dávid Hvizdoš3, Xianwu Jiang4, Mehdi Ayouz5, Chris H. Greene3, and Viatcheslav Kokoouline1,*

  • 1Department of Physics, University of Central Florida, Orlando, Florida 32816, USA
  • 2Institut des Sciences Moléculaires, Université de Bordeaux, CNRS UMR 5255, 33405 Talence Cedex, France
  • 3Department of Physics and Astronomy and Purdue Quantum Science and Engineering Institute, Purdue University, West Lafayette, Indiana 47907, USA
  • 4Department of Physics, Wuhan University of Technology, Wuhan 430074, China
  • 5Université Paris-Saclay, CentraleSupélec, Laboratoire de Génie des Procédés et Matériaux, 91190 Gif-sur-Yvette, France

  • *slavako@ucf.edu
PDF

Phys. Rev. A 107, 042801 – Published 4 April, 2023

DOI: https://doi.org/10.1103/PhysRevA.107.042801

Abstract

The theoretical approach developed here treats uniformly the direct and indirect mechanisms of dissociative recombination (DR) in a diatomic ion. The present theory is based on electron-scattering calculations performed at several internuclear distances in the molecule. It is easy to implement because there is no need to separately evaluate couplings and the bound dissociative states of the neutral molecule. The theory can be applied to molecular ions with or without electronic resonances at low energies. The approach is applied to compute the DR cross section in electron-CH+ collisions. The computed cross section agrees generally well with recent state-resolved data from a cryogenic storage experiment, which validates the approach.

View figure in article

Physics Subject Headings (PhySH)

Article Text

References (36)

  1. M. Larsson, Dissociative recombination with ion storage rings, Annu. Rev. Phys. Chem. 48, 151 (1997).
  2. A. Florescu-Mitchell and J. Mitchell, Dissociative recombination, Phys. Rep. 430, 277 (2006).
  3. N. G. Adams, V. Poterya, and L. M. Babcock, Electron molecular ion recombination: Product excitation and fragmentation, Mass Spectrom. Rev. 25, 798 (2006).
  4. M. Larsson and A. E. Orel, Dissociative Recombination of Molecular Ions (Cambridge University Press, Cambridge, UK, 2008).
  5. R. Čurík, D. Hvizdoš, and C. H. Greene, Dissociative Recombination of Cold HeH+ Ions, Phys. Rev. Lett. 124, 043401 (2020).
  6. R. Čurík and C. H. Greene, Inelastic low-energy collisions of electrons with HeH+: Rovibrational excitation and dissociative recombination, J. Chem. Phys. 147, 054307 (2017).
  7. E. L. Hamilton and C. H. Greene, Competition Among Molecular Fragmentation Channels Described with Siegert Channel Pseudostates, Phys. Rev. Lett. 89, 263003 (2002).
  8. V. Kokoouline and C. H. Greene, Unified theoretical treatment of dissociative recombination of D3h triatomic ions: Application to H3+ and D3+, Phys. Rev. A 68, 012703 (2003).
  9. R. Čurík and C. H. Greene, Rates for dissociative recombination of LiH+ ions, J. Phys.: Conf. Ser. 115, 012016 (2008).
  10. A. E. Orel and K. C. Kulander, Resonant Dissociative Recombination of H3+, Phys. Rev. Lett. 71, 4315 (1993).
  11. A. E. Orel, Time-dependent wave-packet study of the direct low-energy dissociative recombination of HD+, Phys. Rev. A 62, 020701(R) (2000).
  12. Å. Larson and A. E. Orel, Wave-packet study of the products formed in dissociative recombination of HeH+, Phys. Rev. A 72, 032701 (2005).
  13. S. Morisset, L. Pichl, A. E. Orel, and I. F. Schneider, Wave-packet approach to Rydberg resonances in dissociative recombination, Phys. Rev. A 76, 042702 (2007).
  14. A. Giusti-Suzor and H. Lefebvre-Brion, The dissociative recombination of CH+ ions, Astrophys. J. 214, L101 (1977).
  15. A. Giusti, A multichannel quantum defect approach to dissociative recombination, J. Phys. B 13, 3867 (1980).
  16. S. L. Guberman and A. Giusti-Suzor, The generation of O(S1) from the dissociative recombination of O+2, J. Chem. Phys. 95, 2602 (1991).
  17. H. Takagi, N. Kosugi, and M. Le Dourneuf, Dissociative recombination of CH+, J. Phys. B: At., Mol. Opt. Phys. 24, 711 (1991).
  18. S. L. Guberman, The dissociative recombination of OH+, J. Chem. Phys. 102, 1699 (1995).
  19. S. L. Guberman, Mechanism for the green glow of the upper ionosphere, Science 278, 1276 (1997).
  20. S. L. Guberman, Role of excited core Rydberg states in dissociative recombination, J. Phys. Chem. A 111, 11254 (2007).
  21. H. Takagi, Cross sections of the processes induced by electron collisions with H2+, HeH+, and their isotopes, Fusion Sci. Technol. 63, 406 (2013).
  22. L. Carata, A. E. Orel, M. Raoult, I. F. Schneider, and A. Suzor-Weiner, Core-excited resonances in the dissociative recombination of CH+ and CD+, Phys. Rev. A 62, 052711 (2000).
  23. K. Chakrabarti, J. Z. Mezei, O. Motapon, A. Faure, O. Dulieu, K. Hassouni, and I. Schneider, Dissociative recombination of the CH+ molecular ion at low energy, J. Phys. B: At., Mol. Opt. Phys. 51, 104002 (2018).
  24. X. Jiang, J. Forer, C. H. Yuen, M. Ayouz, and V. Kokoouline, Theory of dissociative recombination of molecular ions with competing direct and indirect mechanisms applied to CH+, Phys. Rev. A 104, 042801 (2021).
  25. J. Tennyson, Electron–molecule collision calculations using the R-matrix method, Phys. Rep. 491, 29 (2010).
  26. J. Tennyson, D. B. Brown, J. J. Munro, I. Rozum, H. N. Varambhia, and N. Vinci, Quantemol-N: an expert system for performing electron molecule collision calculations using the R-matrix method, J. Phys.: Conf. Ser. 86, 012001 (2007).
  27. E. P. Wigner and L. Eisenbud, Higher angular momenta and long range interaction in resonance reactions, Phys. Rev. 72, 29 (1947).
  28. N. Y. Du and C. H. Greene, Quantum defect analysis of HD-photoionization, J. Chem. Phys. 85, 5430 (1986).
  29. V. Kokoouline and C. H. Greene, Theoretical study of dissociative recombination of C2v triatomic ions: Application to H2D+ and D2H+, Phys. Rev. A 72, 022712 (2005).
  30. A. Vibok and G. Balint-Kurti, Parametrization of complex absorbing potentials for time-dependent quantum dynamics, J. Phys. Chem. 96, 8712 (1992).
  31. Daniel Paul et al., Electron recombination studies of rotationally cold CH+ ions at the cryogenic storage ring, ApJ 939, 122 (2022).
  32. S. Fonseca dos Santos, V. Kokoouline, and C. H. Greene, Dissociative recombination of H3+ in the ground and excited vibrational states, J. Chem. Phys. 127, 124309 (2007).
  33. Z. Amitay, D. Zajfman, P. Forck, U. Hechtfischer, B. Seidel, M. Grieser, D. Habs, R. Repnow, D. Schwalm, and A. Wolf, Dissociative recombination of CH+: Cross section and final states, Phys. Rev. A 54, 4032 (1996).
  34. P. Mul, J. Mitchell, V. D'Angelo, P. Defrance, J. W. McGowan, and H. Froelich, Merged electron-ion beam experiments. IV. Dissociative recombination for the methane group CH+,..., CH5+, J. Phys. B: At. Mol. Phys. 14, 1353 (1981).
  35. Z. J. Mezei, M. D. Epée Epée, O. Motapon, and I. F. Schneider, Dissociative recombination of CH+ molecular ion induced by very low energy electrons, Atoms 7, 82 (2019).
  36. D. J. Haxton and C. H. Greene, Ab initio frame-transformation calculations of direct and indirect dissociative recombination rates of HeH++e−, Phys. Rev. A 79, 022701 (2009).

Outline

Information

Phys. Rev. A 107, 042801– Published 4 April, 2023
  • Received 6 August 2022
  • Accepted 15 March 2023
Article part of CHORUS
Crossmark - Check for updates button

©2023 American Physical Society

Sign In to Your Journals Account

Filter

Filter

Article Lookup

Enter a citation