Ultrafast nonadiabatic photodissociation dynamics of F2 in solid Ar

M. Sukharev*, A. Cohen, Robert Benny Gerber, Tamar Seideman

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

5 Scopus citations

Abstract

We explore the ultrafast spin-flip dynamics in a diatomic molecule imbedded in a rare gas matrix using the combination of a quantum mechanical and a semiclassical surface hopping method. Specifically, we investigate (1) the extent to which the phenomenon of electronically-localized eigenstates in strongly-coupled manifolds survives in the presence of rapid decay and a multitude of electronically coupled states; (2) the ability of the surface hopping method to predict the short time dynamics; and (3) the time range over which frozen lattice models are valid. Our results point to the active role played by a large number of coupled electronic states in the F2/Ar dynamics while substantiating our confidence in the validity of the popular surface hopping approach for the system considered.

Original languageEnglish (US)
Pages (from-to)1651-1659
Number of pages9
JournalLaser Physics
Volume19
Issue number8
DOIs
StatePublished - Aug 2009

Funding

ACKNOWLEDGMENTS We thank Professor J. Manz for helpful discussions. T.S. is grateful to the National Science Foundation (grant number CHE 0616927) for support and to the Weston Foundation for a Visiting Professor Award under the auspices of which this research was carried out. R.B.G. thanks the Deutsche Forschungsgemein schaft in the framework of the SFB 450 project, “Anal ysis and control of ultrafast photoinduced reactions.” Our numerical work used in part the resources of the Argonne Leadership Computing Facility at Argonne National Laboratory, which is supported by the Office of Science of the U.S. Department of Energy under Contract no. DE AC02 06CH11357.

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics
  • Instrumentation
  • Condensed Matter Physics
  • Industrial and Manufacturing Engineering

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