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Nonadiabatic dynamics of excited excess electrons in simple fluids

J. Chem. Phys. 94, 1976 (1991); doi:10.1063/1.459920

Issue Date: 1 February 1991

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B. Space and D. F. Coker
Department of Chemistry, Boston University, Boston, Massachusetts 02215
We present a surface hopping trajectory method for studying nonadiabatic excess electronic relaxation in condensed systems. This approach is used to explore the nonadiabatic relaxation after photoexciting an equilibrated excess electron in dense fluid helium. We survey the different types of nonadiabatic phenomena which are important in excess electronic relaxation. Very rapid diabatic processes are common when the nuclear dynamics provides only weak couplings between the adiabatic states. This is generally the case when the states are localized in different regions of space. We find that the nuclear dynamics provides a mechanism for strong coupling between s- and p-like states localized in the same solvent cavity. These strong nonadiabatic interactions can persist over a wide range of nuclear configurations and for many hundreds of femtoseconds. The Journal of Chemical Physics is copyrighted by The American Institute of Physics.
History: Received 28 February 1990; accepted 13 November 1990
Permalink: http://link.aip.org/link/?JCPSA6/94/1976/1
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KEYWORDS and PACS

Keywords
PACS
  • 78.40.Dw
    Optical properties and condensed-matter spectroscopy and other interactions of matter with particles and radiation Visible and ultraviolet spectra Liquids
  • 71.55.Ht
    Electron states Impurity and defect levels Other nonmetals
  • YEAR: 1990-91

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ISSN:
0021-9606 (print)   1089-7690 (online)
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REFERENCES (18)
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