Hi everyone,
I'll be giving group meeting today
*when*: 2-3pm
*where*: cabot division room
*what*: On the alternatives for a spectral density from QM/MM calculations*
** abstract
***
*The bath two-time correlation function plays a central role in describing
*
* the dynamics of systems when using Open Quantum System approaches.
*
*In this talk, I will explain how one can extract this quantity / the
spectral
*
*density by using a QM/MM approach. I will then overview various
semi-classical
*
*corrections which aim at recuperating the quantum bath correlation
function
*
*from the classical one. In the QM/MM approach one typically introduces an
*
*energy gap correlation function: I will show models which can account for
this
*
*quantity and how these lead to some of the previously introduced
semi-classical
*
*corrections. All considerations will be applied to the photosynthetic
*
*Fenna-Matthews-Olson complex.*
**
--
Stéphanie Valleau
PhD student in Chemical Physics
Harvard University CCB,
12 Oxford St. Mailbox 312,
Cambridge, MA, USA
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