Poster: http://www.physics.uwo.ca/colloquia/Colloquia%20Notices/2011_2012/STAROVEROV%20Colloquium.pdf
Western University
DEPARTMENT OF PHYSICS AND ASTRONOMY
PHYSICS & ASTRONOMY COLLOQUIUM
Date: Thursday, 15th March 2012
Time: 1:30 p.m.
Location: Physics & Astronomy Seminar Room 22
Dr. Viktor Staroverov
Department of Chemistry
Western University
“Advances in Density-Functional Methods for Electronic Structure Calculations”
ABSTRACT
Density-functional theory (DFT) is the most successful though imperfect computational tool of chemistry and condensed-matter physics. Current research efforts in DFT concentrate on improving the existing density functionals and on developing new ideas that might lead to better approximations. In this talk, I will explain the challenges faced by theorists and show—by drawing upon the recent work in our group—how valuable physical insights and better numbers can be obtained by adopting a new approach to the problem. This approach consists of shifting the focus from exchange-correlation energy functionals to the corresponding effective potentials.
Coffee & cookies will be available, courtesy of PASA.
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