PHYSSunday, 28 August 2005

8:20 AM-11:50 AM Washington DC Convention Center -- 143A, Oral
Computational Exploration of Energy Landscapes: Challenges and Solutions
Advances in Coupled-Cluster Methods
Organizer:C. David Sherrill
Organizer, Presiding:Anna I. Krylov
8:20 AMIntroductory Remarks
8:30 AMAddition by subtraction in coupled-cluster theory: A reinvestigation of the CI CC interface
Rodney J. Bartlett, Monika Musial
9:10 AMAb initio calculations of optical rotation of conformationally flexible molecules
T. Daniel Crawford
9:50 AMNoniterative coupled-cluster methods for bond breaking, diradicals, and excited electronic states
Piotr Piecuch, Marta Wloch, Jeffrey R. Gour, Karol Kowalski, Armagan Kinal, Maricris D. Lodriguito, Michael J. McGuire
10:30 AMIntermission
10:50 AMTransition metal chemistry: Towards accurate energetic description
John Determan, Scott Yockel, Tom Grimes, Mohammad A. Omary, Paul S. Bagus, Thomas R. Cundari, Angela K. Wilson
11:30 AMEOM-IP-CC and EOM-EA-CC methods applied to charge transfer reactions
Piotr A Pieniazek, Anna I. Krylov, Stephen E. Bradforth

Computational Exploration of Energy Landscapes: Challenges and Solutions -- Next Session

Symposium Grid -- Division of Physical Chemistry -- Session Listing

Symposium Grid -- Biotech -- Session Listing

Symposium Grid -- Energy -- Session Listing

Symposium Grid -- Green Chemistry/Pollutants/Sustainability -- Session Listing

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