LECTURE:

"Real-space Green's function theory of X-ray absorption"

Abstract:

X-ray absorption spectroscopy (XAS) and related techniques are powerful experimental tools for characterization of local atomic and electronic structure. The technique is complementary to x-ray diffraction, as it does not require periodicity to probe the structure. However, the theory behind x-ray absorption is not as well developed, especially in the near edge. Here I will give a brief introduction to XAS, and discuss the real-space Green's function theory of XAS as implemented in the FEFF code.

TUTORIAL:

"Calculating X-ray absorption and related spectroscopies with FEFF10 and Corvus"

Abstract:

This hands-on tutorial will start with a discussion and demonstration of how to use the FEFF code to calculate x-ray absorption. A variety of examples will be shown, from simple calculations of small molecules with a single absorbing site, to more difficult systems with multiple absorbing sites, such as small nanoparticles. We will also discuss the Corvus workflow framework, which facilitates the use of FEFF10 (as well as other scientific codes) for advanced calculations of spectroscopy. 

Bio:

Josh Kas is a research professor at the University of Washington in Seattle. His research is focused on theory and computation of excited state electronic structure and spectra. He is one of the lead developers of the FEFF code for x-ray and related spectroscopies as well as the associated workflow framework Corvus.