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Conical Intersection and Composite Gradients
  Molecular Physics seminar

Monday 10 October 2016
from 10:00 to 11:00
at FD41
Speaker : Ignacio F. Galván (Uppsala University)
Abstract : 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.

AlbaNova  | Last modified 04 October 2016 09:26  |  HELP