| COMP | Wednesday, March 26, 2003 | ||
1:30 PM-4:10 PM Convention Center -- Room 268,Oral | |||
Recent Developments and Applications of Time-Dependent DFT and Related Ab Initio and Semiempirical Methods | |||
| Organizer, Presiding: | Kieron Burke | ||
| Organizer: | John McKelvey | ||
| 1:30 PM | 310 | Observation and interpretation of annulated porphyrins: Effects of distortion and conjugation on spectroscopic properties of meso-tetraphenylmetalloporphyrins Kiet A. Nguyen, Joy E. Rogers, David C. Hufnagle, Daniel G McLean, Sergei Vinogradov, Weijie Su, Kristi M. Gossett, Paul N. Day, Ruth Pachter, Paul A. Fleitz | |
| 2:20 PM | 311 | Extracting scattering information from the Kohn-Sham susceptibility Adam Wasserman, Neepa T. Maitra, Kieron Burke | |
| 2:45 PM | 312 | Double excitations within TDDFT linear response Fan Zhang, Neepa T. Maitra, Robert J. Cave, Kieron Burke | |
| 3:10 PM | Intermission | ||
| 3:20 PM | 313 | Theoretical predictions of two-photon absorption in substituted stilbenes: A time-dependent density-functional theory study Paul N. Day, Kiet A. Nguyen, Ruth Pachter | |
Previous Session -- Recent Developments and Applications of Time-Dependent DFT and Related Ab Initio and Semiempirical Methods
Symposium Grid -- Division of Computers in Chemistry -- Session Listing
The 225th ACS National Meeting, New Orleans, LA, March 23-27, 2003