Hi everyone,
This is a reminder that Prof. Frank Grossman will be giving Theochem
seminar tomorrow at 4:15 in MIT 4-237. The title and abstract of his talk
are below.
Stay warm and dry today!
Jennifer
*Semiclassical initial value representations: Basics and applications to
quantum dissipation*
The semiclassical initial value formalism to solve the time-dependent
Schroedinger equation will be reviewed. Special focus will be laid on the
Herman Kluk method [1] and Heller's thawed Gaussians [2]. A combination of
the two methods for multi degree of freedom systems, the semiclassical
hybrid dynamics [3], will then be introduced.
After a brief digression to the semiclassical description of the scattering
of two identical particles [4], we present results for the
quantum-classical transition of a nonlinear oscillator coupled to an Ohmic
heat bath [5] as well as for the thermalization of the expectation values
of such an oscillator [6]. We contrast two different approaches to open
system dynamics: the explicit treatment of the bath degrees of freedom and
the reduced density matrix method, respectively.
[1] M. Herman and E. Kluk, Chem. Phys.* 91*, 27 (1984)
[2] E. J. Heller, J. Chem. Phys. *62*, 1544 (1975)
[3] F. Grossmann, J. Chem. Phys. *125*, 014111 (2006)
[4] F. Grossmann, M. Buchholz, E. Pollak and M. Nest, Phys. Rev. A *89*,
032104 (2014)
[5] C.-M. Goletz and F. Grossmann, J. Chem. Phys. *130*, 244107 (2009)
[6] W. Koch, F. Grossmann, J. T. Stockburger and J. Ankerhold, Phys. Rev.
Lett.*100*, 230402 (2008)
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