Mathematical Physics and Harmonic Analysis Seminar

Date: December 10, 2021

Time: 1:50PM - 2:50PM

Location: Zoom

Speaker: Spiridoula Matsika, Temple University

Title: Conical intersections in quantum chemistry

Abstract: In the quantum mechanical treatment of molecules we use the Born-Oppenheimer (adiabatic) approximation, in which the motion of nuclei and electrons is separated because of their large difference in masses. In this approximation the coupling between different electronic potential energy surfaces (PES) is neglected and nuclei move on a single electronic PES. Modeling the motion of nuclei on PESs allows us to model the structure of molecules, their spectroscopy, and chemical reactions. Nevertheless, non-adiabatic processes where the coupling between different PES becomes large are important and ubiquitous in photochemical and other reactions. These processes are facilitated by the close proximity of PESs, and especially by the extreme case where the PESs become degenerate forming conical intersections. In this talk we will discuss the description and basic applications of conical intersections in chemical problems.