Physical, Theoretical & Computational

Recent Progress in Molecular Theory for Excited-state Electronic Structure and Dynamics (#142)

Molecular excited states are essential in science and technology, including energy production, materials design, imaging, and photodynamic therapy. Because of the transient nature of excited states, theoretical and computational approaches play a crucial role, not only in understanding the excited-state phenomena, but also in the rational design of the relevant molecular properties and reactions. More and more attention is being paid to theoretical approaches to study excited-state chemistry and dynamics, and rapid progress has been reported in the literature in this area.
In the symposium, we will discuss recent advances in the molecular theory for excited-state electronic structure and dynamics. The issues to be covered range from the development of fundamental theory to applications in photochemistry and photobiology, electronic structure methods for precise computation, quasi-degeneracy and large systems, and theory for molecular dynamics from quantum to classical regimes, including non-adiabatic transitions, such as conical intersections and intersystem crossings.
Last update: Dec 28, 2015