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arXiv · 1306.2865

A variational surface hopping algorithm for the sub-Ohmic spin-boson model

Yao Yao·Yang Zhao
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Abstract

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.

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Yao Yao, Yang Zhao. 2013-06-12. A variational surface hopping algorithm for the sub-Ohmic spin-boson model. https://doi.org/10.1063/1.4811777

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