Hi CCLers,
I'd like to ask for suggestions
on how to compute high-frequency dynamical polarizability (e.g. ultraviolet
radiation). The radiation is at at frequency where an electron is likely
to ionized and thus the polarizability increases with increasingly diffuse
basis sets. Is there a method or a code to deal with such situations?
I was thinking to include scatter states (e.g. plane waves) but I wanted
expert opinions before I began such an undertaking.
Thank you,
JDW
--
Dr. J. D. Whitfield
Ford VCQ Postdoctoral
Fellow
Vienna Center for Quantum Science and
Technology