Stochastic and Quasi-Stochastic Hamiltonians for Long-Time Nonadiabatic Molecular Dynamics.

Abstract

In the condensed-matter environments, the vibronic Hamiltonian that describes nonadiabatic dynamics often appears as an erratic entity, and one may assume it can be generated stochastically. This property is utilized to formulate novel stochastic and quasi-stochastic vibronic Hamiltonian methodologies, which open a new route to long-time excited state… (More)
DOI: 10.1021/acs.jpclett.7b02185

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