Chemistry Weekly Seminar - Joshua Hollett, University of Winnipeg
Dr. Joshua Hollett of the University of Winnipeg will present a seminar at 1:30 p.m. in Thorvaldson 110.
Title
New Quantum Chemical Tools from a Fundamental Understanding of Electronic Structure
Abstract
New algorithms and approximations continue to push the limits of what is feasible for models of electronic structure. Despite this progress, these quantum chemistry calculations remain a compromise between speed and accuracy. The need for more efficient models persists, namely improved solutions to the correlation problem. A large part of our research is focused on building new solutions to the correlation problem by developing models that more accurately represent the ``physics'' of the problem. First, this requires an in-depth understanding of correlated electron motion, and electron-electron interactions in general. Second, it requires an electronic structure method with the appropriate framework for incorporating the various models of correlated electron motion. The pursuit of both will be discussed.