Theoretical studies of metal nanoparticle optical properties
Abstract
This talk will describe our recent efforts to improve on classical electromagnetic theory in the description of metal nanoparticle (plasmonic) optical properties, with emphasis on surface enhanced Raman spectroscopy. A top-down approach involves the use of nonlocal dielectric response in classical electrodynamics. We have recently developed a method for embedding this into the finite-difference time-domain method, and this allows us to study both small particles and small gaps between big particles at a higher level than in past work, including for single-electron excitations as well as plasmon excitations. The bottom,up theory that we use is TDDFT. Here I will describe a series of projects that we have done that enables us to describe the optical properties of metal clusters with up to 500 atoms, providing an important glimpse as to the connection between electronic structure and electrodynamics.
About the Speaker
George Schatz is the editor-in-chief of Journal of Physical Chemistry
and the Schatz research group is interested in using theory and
computation to describe physical phenomena in a broad range of
applications relevant to chemistry, physics, biology and engineering.
Among the types of applications that we are interested in: optical
properties of nanoparticles and nanoparticle assemblies; using theory
to model polymer properties; DNA structure, thermodynamics and
dynamics; modeling self assembly and nanopatterning; and gas phase
reaction dynamics. Schatz is a member of the National Academy of
Sciences, of the International Academy of Quantum Molecular Science,
and many other such bodies. He has authored over 500 scientific papers,
and co-authored two books with his next-door colleague Mark A. Ratner:
"Introduction to Quantum Mechanics in Chemistry" and "Quantum Mechanics
in Chemistry".