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We derive equilibrium fluctuation expressions for the linear response of many body systems thermostated by the Nose–Hoover thermostat. We show that in the thermodynamic limit this response is the same as that of the corresponding Gaussian isothermal system. Numerical comparisons for shear flow show however that the Gaussian methods provide a significantly more efficient means of calculating the shear viscosity coefficient.
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Evans et al. (Tue,) studied this question.
www.synapsesocial.com/papers/69d56f6c75589c71d767d852 — DOI: https://doi.org/10.1063/1.449071
D.J. Evans
Brad Lee Holian
The Journal of Chemical Physics
Australian National University
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