The Davydov D1 ansatz, which assigns an individual bosonic trajectory to each spin state, is an efficient, yet extremely accurate trial state for time-dependent variation of the sub-Ohmic spin-boson model [J. Chem. Phys. 138, 084111 (2013)]. A surface hopping algorithm is developed employing the Davydov D1 ansatz to study the spin dynamics with a sub-Ohmic bosonic bath. The algorithm takes into account both coherent and incoherent dynamics of the population evolution in a unified manner, and compared with semiclassical surface hopping algorithms, hopping rates calculated in this work follow more closely the Marcus formula.
@article{arxiv.1306.2865,
title = {A variational surface hopping algorithm for the sub-Ohmic spin-boson model},
author = {Yao Yao and Yang Zhao},
journal= {arXiv preprint arXiv:1306.2865},
year = {2015}
}