101 citations · 339 across the 25 of their papers we have counts for
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Nonadiabatic nuclear dynamics of the ammonia cation studied by surface hopping classical trajectory calculations
Andrey K. Belyaev, Wolfgang Domcke, Caroline Lasser +1
The Landau--Zener (LZ) type classical-trajectory surface-hopping algorithm is applied to the nonadiabatic nuclear dynamics of the ammonia cation after photoionization of the ground…
Quasi-classical description of molecular dynamics based on Egorov's theorem
Johannes Keller, Caroline Lasser
Egorov's theorem on the classical propagation of quantum observables is related to prominent quasi-classical descriptions of quantum molecuar dynamics as the linearized semiclassic…
Landau-Zener type surface hopping algorithms
Andrey K. Belyaev, Caroline Lasser, Giulio Trigila
A class of surface hopping algorithms is studied comparing two recent Landau-Zener (LZ) formulas for the probability of nonadiabatic transitions. One of the formulas requires a dia…
Corrections to Wigner type phase space methods
Wolfgang Gaim, Caroline Lasser
Over decades, the time evolution of Wigner functions along classical Hamiltonian flows has been used for approximating key signatures of molecular quantum systems. Such approximati…