Skip to main content
Log in

Quantum-Classical Wigner-Liouville Equation

  • Published:
Ukrainian Mathematical Journal Aims and scope

Abstract

We consider a quantum system that is partitioned into a subsystem and a bath. Starting from the Wigner transform of the von Neumann equation for the quantum-mechanical density matrix of the entire system, the quantum-classical Wigner-Liouville equation is obtained in the limit where the masses M of the bath particles are large as compared with the masses m of the subsystem particles. The structure of this equation is discussed and it is shown how the abstract operator form of the quantum-classical Liouville equation is obtained by taking the inverse Wigner transform on the subsystem. Solutions in terms of classical trajectory segments and quantum transition or momentum jumps are described.

This is a preview of subscription content, log in via an institution to check access.

Access this article

Price excludes VAT (USA)
Tax calculation will be finalised during checkout.

Instant access to the full article PDF.

Similar content being viewed by others

REFERENCES

  1. J. C. Tully, Modern Methods for Multidimensional Dynamics Computations in Chemistry, World Scientific, New York (1998).

    Google Scholar 

  2. V. I. Gerasimenko, “Uncorrelated equations of motion of the quantum-classical systems,” Rept. Acad. Sci. Ukr. SSR, No. 10, 65–68 (1981).

  3. V. I. Gerasimenko, “Dynamical equations of quantum-classical systems,” Theor. Math. Phys., 50, No.1, 77–87 (1982).

    Article  MathSciNet  Google Scholar 

  4. D. Ya. Petrina, V. I. Gerasimenko, and V. Z. Enolskii, Sov. Phys. Dokl., 35, 925 (1990).

    MathSciNet  Google Scholar 

  5. I. V. Aleksandrov, Z. Naturforsch, 36a, 902 (1981).

    Google Scholar 

  6. R. Kapral and G. Ciccotti, “Mixed quantum-classical dynamics,” J. Chem. Phys., 110, No.18, 8919–8929 (1999).

    Article  Google Scholar 

  7. R. Kapral and G. Ciccotti, “A statistical mechanical theory of quantum dynamics in classical environments,” in: P. Nielaba, M. Mareschal, and G. Ciccotti (editors), Bridging Time Scales: Molecular Simulations for the Next Decade, Springer, Berlin (2003).

    Google Scholar 

  8. D. Mac Kernan, G. Ciccotti, and R. Kapral, J. Phys.: Condens. Matt., 14, 9069 (2002).

    Google Scholar 

  9. S. Nielsen, R. Kapral, and G. Ciccotti, “Mixed quantum-classical surface hopping dynamics,” J. Chem. Phys., 112, No15, 6543–6553 (2000).

    Article  Google Scholar 

  10. V. S. Filinov, Y. V. Medvedev, and V. L. Kamskyi, Mol. Phys., 85, 711 (1995).

    Google Scholar 

  11. V. S. Filinov, Mol. Phys., 88, 1517–1529 (1996).

    Google Scholar 

  12. V. S. Filinov, S. Bonella, Y. E. Lozovik, A. Filinov, and I. Zacharov, Classical and Quantum Dynamics in Condensed Phase Simulations, World Scientific, Singapore (1998).

    Google Scholar 

  13. D. Mac Kernan, G. Ciccott, and R. Kapral, “Surface-hopping dynamics of a spin-boson system,” J. Chem. Phys., 116, 2346–2356 (2002).

    Google Scholar 

  14. A. Sergi and R. Kapral, “Quantum-classical dynamics of nonadiabatic chemical reactions,” J. Chem. Phys., 118, No.19, 8566–8575.

Download references

Author information

Authors and Affiliations

Authors

Additional information

__________

Published in Ukrains'kyi Matematychnyi Zhurnal, Vol. 57, No. 6, pp. 749–756, June, 2005.

Rights and permissions

Reprints and permissions

About this article

Cite this article

Kapral, R., Sergi, A. Quantum-Classical Wigner-Liouville Equation. Ukr Math J 57, 891–899 (2005). https://doi.org/10.1007/s11253-005-0237-0

Download citation

  • Received:

  • Issue Date:

  • DOI: https://doi.org/10.1007/s11253-005-0237-0

Keywords

Navigation