Monday 10 October 2016
to 11:00 at
Ignacio F. Galván (Uppsala University)
Photochemical processes are difficult to study with the tools of
computational chemistry for various reasons: very accurate methods are needed, non-equilibrium and dynamical effects are important, several electronic states are accessible... In this talk I will briefly discuss two subjects useful for this kind of study: what we can learn from conical intersections and the use of composite gradients for large systems.