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.
Access this chapter
Tax calculation will be finalised at checkout
Purchases are for personal use only
Preview
Unable to display preview. Download preview PDF.
Similar content being viewed by others
References
Kosloff, R.: J. Phys. Chem. 92 (1988) 2087.
Balint-Kurti, G. G., Dixon, R. N., Marston, C. C.: Internat. Rev. Phys. Chem. 11 (1992) 317.
Balint-Kurti, G. G., Shapiro, M.: J. Chem. Phys. 61 (1981) 137.
Light, J. C., Hamilton, I. P., Lill, V. J.: J. Chem. Phys. 82 (1985) 1400.
Marston, C. C., Balint-Kurti, G. G.: Huong J. Chem. Phys. 91 (1989) 3571.
Gögtas,F., Balint-Kurti, G. G., Marston, C. C.: Quantum Chemistry Program Exchange Program No. 647, QCPE Bulletin 14 (1994).
The program is available for download from the web address http://www.bris.ac.uk/Depts/Chemistry/staff/ggbk.htm
Balint-Kurti, G. G., Dixon, R. N., Marston, C. C.: Huong J. Chem. Soc. Faraday Transactions 86 (1990) 1741.
Offer, A. R., Balint-Kurti, G. G.: Huong J. Chem. Phys. 101 (1994) 10416.
Balint-Kurti, G. G., Gögtas, F., Mort, S. P., Offer, A. R., Laganá, A., Gervasi, 0.: J. Chem. Phys. 99 (1993) 9567.
Leforestier, C.:J. Chem. Phys. 94 (1991) 6388.
Corey, G., Lemoine, D.:, J. Chem. Phys. 97 (1992) 4115.
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.
Gray, S. K., Goldfield, E. M., Schatz, G. C., Balint-Kurti, G. G.: Phys. Chem. Chem. Phys. 1 (1999) 1141.
Vibók, Á., Balint-Kurti, G. G.: J. Chem. Phys. 96, 7615 (1992).
Vibók, Á., Balint-Kurti, G. G.: J. Chem. Phys. 96, 8712 (1992)
Gray, S. K., Balint-Kurti, G. G.: J. Chem. Phys. 108, 950 (1998).
Author information
Authors and Affiliations
Editor information
Editors and Affiliations
Rights and permissions
Copyright information
© 2001 Springer-Verlag Berlin Heidelberg
About this paper
Cite this paper
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
Download citation
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