| PHYS | Sunday, 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 AM | Introductory Remarks | ||
| 8:30 AM | 5 | Addition by subtraction in coupled-cluster theory: A reinvestigation of the CI CC interface Rodney J. Bartlett, Monika Musial | |
| 9:10 AM | 6 | Ab initio calculations of optical rotation of conformationally flexible molecules T. Daniel Crawford | |
| 9:50 AM | 7 | Noniterative 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 AM | Intermission | ||
| 10:50 AM | 8 | Transition 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 AM | 9 | EOM-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