Physics Colloquium: Ruth Pachter, Air Force Research Laboratory, Wright-Patterson AFB

Monday, March 19 2012 at 4:00 PM

Location: EP 209

Title: “Optical Properties of Materials at the Molecular-to-Nanoscale: Insight from Theory and Computation”

Abstract: In our continuing interest in multi-photon absorption in molecular and nanoscale materials, calculation of the optical response applying time-dependent density functional theory will be reported. The importance of examining the relationship among long-range-corrected hybrid functional schemes with different fractions of short- and long-range exchange will be discussed. In addition, phenomenological modeling of molecules nearby gold nanorods has discerned parameters that affect the optical properties. In this context, computational issues encountered in modeling interactions at a molecule—macroscopic nanostructure interface will be discussed.

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