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CENTER FOR SIMULATIONAL PHYSICS 
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Announcing a Simulational Physics Lunchtime Seminar: 

SPEAKER: Dr. Wesley D. Allen
Center for Computational Quantum Chemistry
The University of Georgia

TITLE: "An Overview of State-of-the-Art Quantum Chemical Methods"

DATE: Tuesday, October 24, 2000

TIME: 12:30-1:30p

PLACE: Physics Building, Conference Room 201

Abstract: A brief tour of the theoretical armamentarium of contemporary ab initio 
quantum chemistry will be given with particular emphasis on coupled-cluster, 
multireference configuration interaction, and many-body perturbation theory.
 Excerpts from our most recent theoretical research on the mechanisms of combustion
 chemistry and photofragmentation dynamics will be used to exemplify the performance
 of cutting-edge electronic structure theory. Finally, an update will be given on research
 toward the daunting goal of achieving spectroscopic accuracy in molecular quantum 
mechanics via explicitly correlated electronic wavefunctions.