Session: Computational Exploration of Energy Landscapes: Challenges and Solutions


PHYS		Wednesday, 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 AM	180	Adiabatic and nonadiabatic excited state dynamics in large molecular clusters Sergei Tretiak
9:00 AM	181	Two- and three-state conical intersections in complex systems Spiridoula Matsika
9:40 AM	182	Escaping the double cone: Construction and applications of gateway coordinates David R. Yarkony
10:20 AM		Intermission
10:40 AM	183	Ab 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 AM	184	First 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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