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Semiclassical Dynamics and Quantum Control in Condensed Phases: Application to I2 in a Solid Argon Matrix

Summary: Semiclassical Dynamics and Quantum Control in Condensed Phases: Application to I2 in a
Solid Argon Matrix
Jianwei Che, Michael Messina,* and Kent R. Wilson
Department of Chemistry and Biochemistry, UniVersity of California,
San Diego, La Jolla, California 92093-0339
V. A. Apkarian, Z. Li, C. C. Martens, and R. Zadoyan
Department of Chemistry, UniVersity of California, IrVine, California 92717-2025
YiJing Yan
Department of Chemistry, Hong Kong UniVersity of Science and Technology, Kowloon, Hong Kong
ReceiVed: October 16, 1995; In Final Form: January 15, 1996X
A novel scheme is developed which allows for the combination of classical sampling techniques and quantum
wave packet dynamics to study both the inhomogeneous structural effects and the homogeneous dynamical
effects in condensed phases. We utilize this methodology to theoretically investigate quantum control of the
vibrational dynamics of a chromophore embedded in a condensed-phase environment. We consider control
of the vibrational dynamics on an excited electronic state of I2 that has been embedded in a low-temperature
argon matrix, to compare with the work of Apkarian, Zadoyan, Martens, and co-workers. The high
dimensionality of such systems precludes the possibility of an exact quantum treatment. To overcome this
difficulty we take a semiclassical approach using Gaussian wave packet dynamics in the weak response regime.
We compare the numerical simulation with experimental pump-probe measurements of Zadoyan and Apkarian,
and we find reasonable agreement over the short time interval within which we will attempt to control the


Source: Apkarian, V. Ara - Department of Chemistry, University of California, Irvine


Collections: Chemistry