PHYSWednesday, 31 August 2005

8:20 AM-11:40 AM Washington DC Convention Center -- 143A, Oral
Computational Exploration of Energy Landscapes: Challenges and Solutions
Nonadiabatic and non-Born-Oppenheimer Approaches
Organizers:Anna I. Krylov
C. David Sherrill
Presiding:Garnet K. Chan
8:20 AMAdiabatic and nonadiabatic excited state dynamics in large molecular clusters
Sergei Tretiak
9:00 AMTwo- and three-state conical intersections in complex systems
Spiridoula Matsika
9:40 AMEscaping the double cone: Construction and applications of gateway coordinates
David R. Yarkony
10:20 AMIntermission
10:40 AMAb initio potential energy surfaces, nonadiabaticity, and dynamics of hydrogen bonded complexes containing radicals
Guillaume Dhont, Anna Fishchuk, Jacek A Klos, Paul E.S. Wormer, Gerrit C. Groenenboom, Ad van der Avoird
11:20 AMFirst principles dynamics of electronically excited trans-1,3-butadiene: Understanding ultrafast time resolved photoelectron spectra
Benjamin G. Levine, Todd J. Martinez

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The 230th ACS National Meeting, in Washington, DC, Aug 28-Sept 1, 2005