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An Analog Macroscopic Technique for Studying Molecular Hydrodynamic Processes in Dense Gases and Liquids
Published on: December 4, 2017
Adiabatic and Nonadiabatic Dynamics with Interacting Quantum Trajectories
Lucien Dupuy1, Francesco Talotta2, Federica Agostini2
1Laboratoire Univers et Particules de Montpellier, UMR-CNRS 5299, Université de Montpellier, Place Eugène Bataillon, 34095Montpellier, France.
Abstract:
We present a quantum dynamics method based on the propagation of interacting quantum trajectories to describe both adiabatic and nonadiabatic processes within the same formalism. The idea originates from the work of Poirier [Chem. Phys.2010,370, 4-14] and Schiff and Poirier [J. Chem. Phys.2012,136, 031102] on quantum dynamics without wavefunctions. It consists of determining the quantum force arising in the Bohmian hydrodynamic formulation of quantum dynamics using only information about quantum trajectories. The particular time-dependent propagation scheme proposed here results in very stable dynamics. Its performance is discussed by applying the method to analytical potentials in the adiabatic regime, and by combining it with the exact factorization method in the nonadiabatic regime.
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