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Photochemistry pp 141-177 | Cite as

Fast Nonadiabatic Dynamics

  • Maurizio Persico
  • Giovanni Granucci
Chapter
Part of the Theoretical Chemistry and Computational Modelling book series (TCCM)

Abstract

In this chapter we present the fast dynamics of a molecular system in regions (avoided crossings, conical intersections) where the Born–Oppenheimer approximation breaks down because the electronic and the nuclear motion are strongly coupled. When a nuclear wavepacket reaches a region where the PESs are close to each other, the nonadiabatic transitions are far from being negligible, and time-dependent perturbation theory cannot be applied. We will show that, in spite of the strong interplay between electronic and nuclear motion, interesting information can be obtained from an approximated mixed quantum/classical model, which leads to the celebrated Landau–Zener formula. Moreover, the main features of conical intersections will be described in some detail.

Keywords

Nonadiabatic dynamics Avoided crossings Landau-Zener Conical intersections Berry’s phase Surface hopping 

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Copyright information

© Springer International Publishing AG, part of Springer Nature 2018

Authors and Affiliations

  1. 1.Department of Chemistry and Industrial ChemistryUniversity of PisaPisaItaly

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