Thursday, June 13, 2013

1306.2865 (Yao Yao et al.)

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

Yao Yao, Yang Zhao
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 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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