PHYSTuesday, August 21, 2007

8:20 AM-12:00 PM BCEC -- 160A, Oral
Excited Electronic States in Chemistry and Biology: Theory and Experiment
Gas and Liquid Environments
Organizers:Todd J. Martinez
Spiridoula Matsika
Presiding:Victor Batista
8:20 AMSpectra of strongly coupled electronic states
Michael S Schuurman, David R. Yarkony
9:00 AMNon-linear conjugate gradient method for excited states: An initial step toward an efficient linear scaling solver for the RPA equations
Melissa J. Lucero, Anders M. N. Niklasson, Matt Challacombe
9:20 AMAb initio molecular dynamics of photoisomerization in cis-stilbene
Benjamin G. Levine, Todd J. Martinez
9:40 AMIntermission
10:00 AMElectronic structure of ionized noncovalent dimers
Anna I. Krylov
10:40 AMNonadiabatic photodissociation dynamics of BrCH2Cl and BrCH2C(O)Cl including spin-orbit effects
Rosendo Valero, Donald G. Truhlar
11:00 AMNew high-level coupled-cluster theories for modeling excited-state energies of biologically relevant systems
Karol Kowalski, Marat Valiev, Jeff R. Hammond
11:20 AMExcited state chemical bonding and spectroscopy of inert metals and noble gases
John Determan, Pankaj Sinha, Mohammad A. Omary, Angela K. Wilson
11:40 AMIdentifying different types of the electronic degeneracies: The case of ethylene and its heteroatom derivatives
Shmuel Zilberg, Yehuda Haas, Bernhard Dick

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The 234th ACS National Meeting, Boston, MA, August 19-23, 2007