Hi everyone,
This Thursday Xavier Andrade is going to discuss new ideas on TDDFT for
solids in electric fields. Please see title and abstract below.
See you there,
Felipe Herrera
------
*Title*: How to put a crystal in an electric field
*Abstract*: As this will most likely be my last group meeting, I want to
take the the chance to discuss some ideas I have with respect to an
old problem: how to treat electric fields and polarization in
infinitely periodic systems. The approach I want to develop is based
on the idea of using a vector potential to describe uniform electric
fields in a crystal. I will show that this formulation can be a
powerful alternative to modern polarization theory, and that it can
even lead to improving the performance and correct some of the
pathologies of time-dependent density functional theory (TDDFT) for
solids.
Show replies by date