Skip to main content
SpringerLink
Log in

A Gaussian wavepacket propagation study of non-adiabatic dynamics

  • Published:
Proceedings of the Indian Academy of Sciences - Chemical Sciences Aims and scope Submit manuscript

Abstract

The Gaussian wave-packet propagation (GWP) approach in the coherent state algebraic formalism has been applied to calculate the dynamics of a few model single-mode systems and a model two-mode system. To circumvent the problems arising in defining the initial conditions and the potential surface for such systems in this formalism, we have constructed a new Hamiltonian which is derived by mapping the original Hamiltonian on to a single electronic surface. Good agreement with exact results have been obtained.

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

Access this article

Log in via an institution

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

Instant access to the full article PDF.

Institutional subscriptions

Similar content being viewed by others

References

Download references

Author information

Authors and Affiliations

  1. School of Chemistry, University of Hyderabad, Central University PO, 500134, Hyderabad, India

    G. Madhavi Sastry & M. Durga Prasad

Authors
  1. G. Madhavi Sastry
    View author publications

    You can also search for this author in PubMed Google Scholar

  2. M. Durga Prasad
    View author publications

    You can also search for this author in PubMed Google Scholar

Rights and permissions

Reprints and permissions

About this article

Cite this article

Sastry, G.M., Prasad, M.D. A Gaussian wavepacket propagation study of non-adiabatic dynamics. Proc. Indian Acad. Sci. (Chem. Sci.) 106, 569–577 (1994). https://doi.org/10.1007/BF02840771

Download citation

  • Issue Date:

  • DOI: https://doi.org/10.1007/BF02840771

Keywords

Search

Navigation