Exchange and Correlation in Electronic Systems: The Hole Story

Thursday, August 2, 2007 - 10:15am - 11:15am
EE/CS 3-180
Axel Becke (Dalhousie University)
Exchange and correlation effects in electronic systems are rigorously related to
a two-electron function called the exchange-correlation hole. Modelling of
the hole in real space is a powerful route to development and refinement of
exchange and correlation functionals in DFT. We have developed real-space
models of all correlation types of importance in chemical physics (dynamical,
nondynamical, and dispersion) and these will be reviewed.