Dear All,
The 3rd Joint Theory Seminar will be held this Thursday, 5 February at
1:30pm in the Division Room, M102. Joel Yuen of the Aspuru-Guzik group will
be presenting. Title and abstract follow:
*Time-Dependent Density Functional Theory (TD-DFT) for Open Quantum Systems*
TD-DFT is an equivalent formulation of time-dependent quantum mechanics
which regards *particle densities* as its main object of study rather than *
wavefunctions* or *density matrices*. At the present time, TD-DFT is the
preferred electronic structure method to study the dynamics of large
systems due to its cheap computational scalability compared to standard
many-body theories. So far, TD-DFT has focused mostly on closed systems. In
this talk, I will show how it is possible to import the ideas of TD-DFT to
the realm of open quantum systems described with arbitrary memory kernels. I
will explain how it is possible to use closed and non-interacting systems to
simulate open many-body interacting systems. A model calculation of the
theory and numerical simulations will also presented and the implications of
this investigation will be discussed with respect to the current state of
the art of TD-DFT and the increasing interest of the Chemical Physics
community in the study of Open Quantum Systems.
Thank you,
Anna
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