| PHYS | Monday, April 7, 2008 | ||
8:00 AM-12:00 PM Morial Convention Center -- Rm. 342, Oral | |||
Computational Spectroscopy | |||
| Session Honoring Bartlett | |||
| Sponsored by: | PHYS | ||
| Organizer: | H. B. Schlegel | ||
| Organizer, Presiding: | Krishnan Raghavachari | ||
| 8:00 AM | 89 | Contemporary computational spectroscopy Henry F. Schaefer III | |
| 8:40 AM | 90 | Perturbative treatment of relativistic effects within coupled-cluster theory Christine Michauk, Kerstin Franzmann, Stella Stopkovicz, Darragh P. O'Neill, Jürgen Gauss | |
| 9:20 AM | 91 | New theoretical methods to study gas phase electron spin resonance (ESR) spectra of triplet states Ajith Perera | |
| 9:40 AM | 92 | Improving CCSD(T) bond breaking: ΛCCSD(T) Andrew G Taube, Rodney J. Bartlett | |
| 10:00 AM | Intermission | ||
| 10:20 AM | 93 | Equation-of-motion coupled cluster theory and a complicated molecule John F. Stanton | |
| 11:00 AM | 94 | Local correlation and chiroptical response T. Daniel Crawford | |
| 11:40 AM | 95 | Nonlinear optical spectroscopy of conjugated molecules using coupled-cluster theory Jeff R. Hammond, Karol Kowalski | |
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Symposium Grid -- Division of Physical Chemistry -- Session Listing
The 235th ACS National Meeting, New Orleans, LA, April 6-10, 2008