Skip to main content

Quantum-Classical Methods

  • Conference paper
Book cover Reaction and Molecular Dynamics

Part of the book series: Lecture Notes in Chemistry ((LNC,volume 75))

Abstract

Theoretical foundations of Quantum-classical theories to incorporate quantum effects in molecular dynamics calculations are discussed to give a more solid ground for their applications to many degrees of freedom study of chemical reactions.

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

Access this chapter

Chapter
USD 29.95
Price excludes VAT (USA)
  • Available as PDF
  • Read on any device
  • Instant download
  • Own it forever
eBook
USD 84.99
Price excludes VAT (USA)
  • Available as PDF
  • Read on any device
  • Instant download
  • Own it forever
Softcover Book
USD 109.99
Price excludes VAT (USA)
  • Compact, lightweight edition
  • Dispatched in 3 to 5 business days
  • Free shipping worldwide - see info

Tax calculation will be finalised at checkout

Purchases are for personal use only

Institutional subscriptions

Preview

Unable to display preview. Download preview PDF.

Unable to display preview. Download preview PDF.

References

  1. G. D. Billing, J. Chem. Phys. 107, 4286 (1997).

    Article  CAS  Google Scholar 

  2. G. D. Billing, “Mixed quantum-classical methods”, in Encyclopedia of Computational Chemistry Ed. H. F. Schaefer III (Wiley, New York, 1998).

    Google Scholar 

  3. G. D. Billing, J. Chem. Phys. 110, 5526 (1999); Chem. Phys. 242 341(1999).

    Google Scholar 

  4. E. J. Heller, J. Chem. Phys. 62 1544 (1975).

    Article  CAS  Google Scholar 

  5. G. D. Billing, J. Chem. Phys. 99 5849 (1993); Int. Rev. Phys. Chem. 13, 309(1994); Comp. Phys. Rep. 1, 237 (1984).

    Google Scholar 

  6. G. D. Billing, Chem. Phys. 51 417 (1980).

    Article  CAS  Google Scholar 

  7. G. D. Billing, Chem. Phys. 242 341 (1999); Theochem (1999) (in press).

    Google Scholar 

  8. S. Adhikari and G. D. Billing, Chem. Phys. 238 69 (1998).

    Article  CAS  Google Scholar 

Download references

Author information

Authors and Affiliations

Authors

Editor information

Editors and Affiliations

Rights and permissions

Reprints and permissions

Copyright information

© 2000 Springer-Verlag Berlin Heidelberg

About this paper

Cite this paper

Billing, G.D. (2000). Quantum-Classical Methods. In: Laganà, A., Riganelli, A. (eds) Reaction and Molecular Dynamics. Lecture Notes in Chemistry, vol 75. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-57051-3_8

Download citation

  • DOI: https://doi.org/10.1007/978-3-642-57051-3_8

  • Publisher Name: Springer, Berlin, Heidelberg

  • Print ISBN: 978-3-540-41202-1

  • Online ISBN: 978-3-642-57051-3

  • eBook Packages: Springer Book Archive

Publish with us

Policies and ethics