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Updated: Apr 6, 2026

Ultrafast Time-resolved Near-IR Stimulated Raman Measurements of Functional π-conjugate Systems
Published on: February 10, 2020
Stimulated Raman signals at conical intersections: Ab initio surface hopping simulation protocol with direct
Markus Kowalewski1, Shaul Mukamel1
1Department of Chemistry, University of California, Irvine, California 92697-2025, USA.
Abstract:
Femtosecond Stimulated Raman Spectroscopy (FSRS) signals that monitor the excited state conical intersections dynamics of acrolein are simulated. An effective time dependent Hamiltonian for two C-H vibrational marker bands is constructed on the fly using a local mode expansion combined with a semi-classical surface hopping simulation protocol. The signals are obtained by a direct forward and backward propagation of the vibrational wave function on a numerical grid. Earlier work is extended to fully incorporate the anharmonicities and intermode couplings.
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