| PHYS | Monday, March 24, 2003 | ||
1:30 PM-4:50 PM Convention Center -- Room 283,Oral | |||
Iterative Methods in Quantum Mechanics and Applications to Chemical Problems | |||
| Mixed | |||
| Presiding: | James T. Muckerman | ||
| Organizers: | Hua Guo Stephen K. Gray | ||
| 1:30 PM | 99 | Using contracted basis functions with a Lanczos eigensolver to compute vibrational levels of methane Tucker Carrington Jr., Xiao-Gang Wang | |
| 2:10 PM | 100 | Lanczos algorithms and cross-correlation functions Hans O. Karlsson | |
| 2:50 PM | 101 | Reaction dynamics with the Gray-Balint-Kurti approach Carlo Petrongolo, Paolo Defazio, Stephen K. Gray, Fabrizio Santoro | |
| 3:30 PM | Intermission | ||
| 3:50 PM | 102 | Preconditioning iterative quantum chemistry methods by exploiting the weak coupling of different length scales Stefan Goedecker | |
| 4:30 PM | 103 | Time propagation of the density matrix for dissipative dynamics: Photodesorption by femtosecond pulses David A. Micha, Alberto Santana | |
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Symposium Grid -- Division of Physical Chemistry -- Session Listing
The 225th ACS National Meeting, New Orleans, LA, March 23-27, 2003