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Journal of North China Institute of Science and Technology

The comparison of two solutions to nano-electromechanical system——the strict numerical solution and the adiabatic approximation

Huang Yinghua

Published Jan 1, 2012• 0 citations
OpenAlex

Abstract

The physical model of NEMS,ie,the single-mode situation of the spin-boson model is studied by both numerical and adiabatic approximation calculations.By comparion,the applicable conditions of the adiabatic approximation is identified.

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The spin-boson model is solved within the framework of quantum-classical dynamics using our recently-developed surface-hopping scheme. The quantum-classical equation of motion is expressed in an adiabatic basis and its solution is constructed from an ensemble of trajectories which undergo nonadiabatic transitions and evolve coherently on the adiabatic surfaces. Details of the algorithm for the simulation of the dynamics are presented and the method of simple Monte Carlo sampling used to evaluate the expectation values of observables is discussed. The simulation method is applied to a spin-boson system with a harmonic bath composed of ten oscillators with an Ohmic spectral density. For the spin-boson model the present implementation of quantum-classical dynamics is exact and the results of our surface-hopping simulations are in accord with previous numerically exact results for this model.