PHYSMonday, 29 August 2005

8:20 AM-11:40 AM Washington DC Convention Center -- 143A, Oral
Computational Exploration of Energy Landscapes: Challenges and Solutions
Novel Approaches to Electron Correlation and New Algorithms
Organizers:C. David Sherrill
Anna I. Krylov
Presiding:T. Daniel Crawford
8:20 AMCanonical mean-field theory: Beyond Hartree-Fock
Garnet Kin-Lic Chan
9:00 AMTwo-electron reduced density matrix theory for potential energy surfaces
David A Mazziotti
9:40 AMExploring potential energy surfaces with explicitly correlated methods
Edward F. Valeev
10:20 AMIntermission
10:40 AMMrXC: A new numerical method to speed up DFT calculations
Jing Kong, Shawn T. Brown, Laszlo Fusti-Molnar
11:20 AMNuclear-electronic orbital approach: Including nuclear quantum effects in electronic structure calculations
Sharon Hammes-Schiffer

Previous Session -- 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