论文信息 - The isothermal/isobaric molecular dynamics ensemble

The isothermal/isobaric molecular dynamics ensemble

Abstract Recently Gauss' principle of least constraint has been combined with Doll's tensor methods to generate equations of motion for which the ideal gas temperature and the hydrostatic pressure are constants of the motion. We derive the equilibrium distribution function for these systems.

Gary P. Morriss | Denis J. Evans | G. Morriss | D. Evans

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