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- W2040239243 abstract "The influence of the pressure thermostat on the equilibrium properties in the Nos'e-Hoover (NH) method is evaluated. Three tests were made to choose the isobaric relaxation time ${ensuremath{tau}}_{p}^{mathrm{*}}$. For the present system (N=108 particles, ensuremath{rho}${ensuremath{sigma}}^{3}$=0.75, and kT/ensuremath{epsilon}=0.9) the lowest value for which ${ensuremath{tau}}_{p}^{mathrm{*}}$ is Gaussian was ensuremath{sim}0.1, which is twice the mean collision time ensuremath{tau}. For ${ensuremath{tau}}_{p}^{mathrm{*}}$>0.1 the NH method obeys the general Langevin equation giving the same Mori coefficients, and for ${ensuremath{tau}}_{p}^{mathrm{*}}$0.1 the method breaks down." @default.
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- W2040239243 date "1988-10-01" @default.
- W2040239243 modified "2023-10-03" @default.
- W2040239243 title "Molecular-dynamics pressure thermostat" @default.
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- W2040239243 doi "https://doi.org/10.1103/physreva.38.4309" @default.
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