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Time dependent quantum theory of reactive molecular collisions

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Methods in Reaction Dynamics

Part of the book series: Lecture Notes in Chemistry ((LNC,volume 77))

Summary

This lecture describes, in a pedagogic manner, the basic theory used in time dependent quantum reactive scattering theory. The calculations are based on propagating a prepared wavepacket forward in time using the time dependent Schrödinger equation. The advantages of the theory lie in the fact that a single time dependent propagation of the wavepacket provides the cross sections over a wide range of energies.

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References

  1. Kosloff, R.: J. Phys. Chem. 92 (1988) 2087.

    Article  CAS  Google Scholar 

  2. Balint-Kurti, G. G., Dixon, R. N., Marston, C. C.: Internat. Rev. Phys. Chem. 11 (1992) 317.

    Article  CAS  Google Scholar 

  3. Balint-Kurti, G. G., Shapiro, M.: J. Chem. Phys. 61 (1981) 137.

    CAS  Google Scholar 

  4. Light, J. C., Hamilton, I. P., Lill, V. J.: J. Chem. Phys. 82 (1985) 1400.

    Article  CAS  Google Scholar 

  5. Marston, C. C., Balint-Kurti, G. G.: Huong J. Chem. Phys. 91 (1989) 3571.

    Article  CAS  Google Scholar 

  6. Gögtas,F., Balint-Kurti, G. G., Marston, C. C.: Quantum Chemistry Program Exchange Program No. 647, QCPE Bulletin 14 (1994).

    Google Scholar 

  7. The program is available for download from the web address http://www.bris.ac.uk/Depts/Chemistry/staff/ggbk.htm

    Google Scholar 

  8. Balint-Kurti, G. G., Dixon, R. N., Marston, C. C.: Huong J. Chem. Soc. Faraday Transactions 86 (1990) 1741.

    Article  CAS  Google Scholar 

  9. Offer, A. R., Balint-Kurti, G. G.: Huong J. Chem. Phys. 101 (1994) 10416.

    Article  CAS  Google Scholar 

  10. Balint-Kurti, G. G., Gögtas, F., Mort, S. P., Offer, A. R., Laganá, A., Gervasi, 0.: J. Chem. Phys. 99 (1993) 9567.

    Article  CAS  Google Scholar 

  11. Leforestier, C.:J. Chem. Phys. 94 (1991) 6388.

    Article  CAS  Google Scholar 

  12. Corey, G., Lemoine, D.:, J. Chem. Phys. 97 (1992) 4115.

    Article  CAS  Google Scholar 

  13. Balint-Kurti, G. G.: in International Reviews of Science, Series II Voll, edited by A.D.Bukingham and C.A.Coulson (Butterworths, London 1975) p. 286.

    Google Scholar 

  14. Gray, S. K., Goldfield, E. M., Schatz, G. C., Balint-Kurti, G. G.: Phys. Chem. Chem. Phys. 1 (1999) 1141.

    Article  CAS  Google Scholar 

  15. Vibók, Á., Balint-Kurti, G. G.: J. Chem. Phys. 96, 7615 (1992).

    Article  Google Scholar 

  16. Vibók, Á., Balint-Kurti, G. G.: J. Chem. Phys. 96, 8712 (1992)

    Article  Google Scholar 

  17. Gray, S. K., Balint-Kurti, G. G.: J. Chem. Phys. 108, 950 (1998).

    Article  CAS  Google Scholar 

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© 2001 Springer-Verlag Berlin Heidelberg

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G.Balint-Kurti, G. (2001). Time dependent quantum theory of reactive molecular collisions. In: Jakubetz, W. (eds) Methods in Reaction Dynamics. Lecture Notes in Chemistry, vol 77. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-56511-3_1

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  • DOI: https://doi.org/10.1007/978-3-642-56511-3_1

  • Publisher Name: Springer, Berlin, Heidelberg

  • Print ISBN: 978-3-540-41487-2

  • Online ISBN: 978-3-642-56511-3

  • eBook Packages: Springer Book Archive

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