Skip to main content
padlock icon - secure page this page is secure

Open Access Several Semiclassical Approaches to Time-resolved Spectroscopy

Download Article:
 Download
(PDF 638.4 kb)
 
Ultrafast spectroscopy allows molecular dynamics to be resolved on the femtosecond time scale. Whereas such short time scales obviously pose many experimental challenges, they provide an opportunity for semiclassical methods, which are naturally suited for short time dynamics. Here we review several semiclassical approaches for evaluating vibrationally resolved electronic pump-probe spectra, starting with the simplest, 'phase averaging' or 'dephasing representation'. We continue by discussing several methods developed in our group that allow increasing the efficiency (the cellular dephasing representation) and accuracy (cellular dephasing representation with a prefactor) and end with the Gaussian dephasing representation, which, despite its semiclassical origins, converges to the exact quantum result. The merits as well as shortcomings of the different approaches are demonstrated on time-resolved stimulated emission spectra of NCO and pyrazine.
No References for this article.
No Supplementary Data.
No Article Media
No Metrics

Keywords: DEPHASING REPRESENTATION; FIDELITY AMPLITUDE; PHASE AVERAGING; SEMICLASSICAL APPROXIMATION; TIME CORRELATION FUNCTION; TIME-RESOLVED STIMULATED EMISSION

Document Type: Research Article

Affiliations: Ecole Polytechnique Federale de Lausanne (EPFL) Institut des Sciences et Ingenierie Chimiques Laboratory of Theoretical Physical Chemistry EPFL SB ISIC LCPT, BCH 3110 CH-1015 Lausanne;, Email: [email protected]

Publication date: 01 May 2017

More about this publication?
  • International Journal for Chemistry and Official Membership Journal of the Swiss Chemical Society (SCS) and its Divisions

    CHIMIA, a scientific journal for chemistry in the broadest sense, is published 10 times a year and covers the interests of a wide and diverse readership. Contributions from all fields of chemistry and related areas are considered for publication in the form of Review Articles and Notes. A characteristic feature of CHIMIA are the thematic issues, each devoted to an area of great current significance.

  • Editorial Board
  • Information for Authors
  • Subscribe to this Title
  • Information for Advertisers
  • Ingenta Connect is not responsible for the content or availability of external websites
  • Access Key
  • Free content
  • Partial Free content
  • New content
  • Open access content
  • Partial Open access content
  • Subscribed content
  • Partial Subscribed content
  • Free trial content
Cookie Policy
X
Cookie Policy
Ingenta Connect website makes use of cookies so as to keep track of data that you have filled in. I am Happy with this Find out more