| COMP | Sunday, March 23, 2003 | ||
1:30 PM-5:05 PM Convention Center -- Room 268,Oral | |||
Recent Developments and Applications of Time-Dependent DFT and Related Ab Initio and Semiempirical Methods | |||
| Excited-State Geometries from TDDFT: Multireference TDDFT | |||
| Presiding: | C. David Sherrill | ||
| Organizers: | John M. McKelvey Kieron Burke | ||
| 1:30 PM | 38 | Photochemistry and excited-state dynamics with time-dependent density-functional theory Todd J. Martinez | |
| 2:20 PM | 39 | Large-scale excited-state calculations of polycyclic aromatic hydrocarbons: Unraveling the spectroscopic properties relevant to interstellar chemistry Martin Head-Gordon, Jennifer Weisman, Timothy Lee | |
| 3:10 PM | Intermission | ||
| 3:25 PM | 40 | Time-dependent density-functional treatment of excited-state energetics, structure, and vibrational spectra Filipp Furche | |
| 4:15 PM | 41 | Application of the DFT/MRCI method in theoretical electronic spectroscopy Stefan Grimme | |
Previous Session -- 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