Exploring excited states' potential energy surfaces and conical intersections in DNA bases

PHYS 565

Evgeny Epifanovsky, epifanov@usc.edu and Anna I. Krylov, krylov@usc.edu. Department of Chemistry, University of Southern California, SSC 409, University of Southern California, Los Angeles, CA 90089-0482
Electronically excited states of DNA bases are characterized by equation-of-motion coupled cluster methods. Vertical oscillator strength and excitation energies are presented. Basis set and correlation effects are investigated. Intersections between different potential energy surfaces are discussed.
 

Poster Session
7:30 PM-10:00 PM, Wednesday, 13 September 2006 Moscone Center -- Hall D, Poster

Sci-Mix
8:00 PM-10:00 PM, Monday, 11 September 2006 Moscone Center -- Hall D, Sci-Mix

Division of Physical Chemistry

The 232nd ACS National Meeting, San Francisco, CA, September 10-14, 2006