| COMP | Sunday, March 23, 2003 | ||
8:30 AM-12:05 PM Convention Center -- Room 268,Oral | |||
Recent Developments and Applications of Time-Dependent DFT and Related Ab Initio and Semiempirical Methods | |||
| Organizer, Presiding: | John McKelvey | ||
| Organizer: | Kieron Burke | ||
| 8:30 AM | Introductory Remarks | ||
| 8:35 AM | 7 | Recent developments in time-dependent density-functional theory Kieron Burke, Neepa T. Maitra, Robert J. Cave, Fan Zhang, Adam Wasserman | |
| 9:20 AM | 8 | From wavefunction theory to density-functional theory and back Rodney J. Bartlett | |
| 10:10 AM | Intermission | ||
| 10:25 AM | 9 | Time-dependent density-functional calculations on the optical spectra of metal-porphyrins and metal-phthalocyanines E. J. Baerends, Angela Rosa, Giampaolo Ricciardi, Stan J. A. van Gisbergen | |
| 11:15 AM | 10 | Calculation of accurate exchange-correlation potentials for ground-state, excited-state, and time-dependent DFT Weitao Yang, Qin Wu | |
Recent Developments and Applications of Time-Dependent DFT and Related Ab Initio and Semiempirical Methods -- Next Session
Symposium Grid -- Division of Computers in Chemistry -- Session Listing
The 225th ACS National Meeting, New Orleans, LA, March 23-27, 2003