most citedWhy do mixed quantum-classical methods describe short-time dynamics through conical intersections so well? Analysis of geometric phase effects

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physics.chem-ph2015★ 44 cited

Why do mixed quantum-classical methods describe short-time dynamics through conical intersections so well? Analysis of geometric phase effects

Rami Gherib, Ilya G. Ryabinkin, Artur F. Izmaylov

Adequate simulation of non-adiabatic dynamics through conical intersection requires account for a non-trivial geometric phase (GP) emerging in electronic and nuclear wave-functions…