Tuesday, May 20, 2008 - 11:20 AM
Medical Arts Building, Rm M-146 (Queensborough Community College)
396

Successes, Challenges, and Prospects of Time-Dependent Density Functional Theory for Bio-Molecular Processes

Neepa T. Maitra, Hunter College of CUNY, New York, NY

In recent years there have been increasing applications of time-dependent density functional theory (TDDFT) to describe optical spectra and response of biomolecules, with implications for processes such as photosynthesis and radiation damage. In this talk I will discuss some of the successes and failures of currently available functional approximations, and challenges in designing accurate functionals for these processes.