Time dependent quantum transport and nuclear motion
- Event time: 1:00pm
- Event date: 28th April 2008
- Speaker: Claudio Verdozzi (Lund University)
- Location: Room 2511, James Clerk Maxwell Building (JCMB) James Clerk Maxwell Building Peter Guthrie Tait Road Edinburgh EH9 3FD GB
In this talk, I will start with a short introduction to a formulation of quantum transport within Time Dependent Density Functional Theory (TDDFT). Then, after discussing an exact open boundary TDDFT scheme within the Ehrenfest Dynamics, I will present model results to illustrate the role of nuclear motion in transport phenomena. Limitations of the Ehrenfest Approximation (EA) will be discussed. I will then make some general considerations on different possible ways to go beyond the EA, and their relevance to a TDDFT formulation of quantum transport. Finally, I will conclude by discussing in more detail one of these possibilities, and presenting some preliminary results.
This is a weekly series of informal talks given primarily by members of the soft condensed matter and statistical mechanics groups, but is also open to members of other groups and external visitors. The aim of the series is to promote discussion and learning of various topics at a level suitable to the broad background of the group. Everyone is welcome to attend..