A generalized Hamiltonian-based algorithm for rigorous equilibrium molecular dynamics simulation in the canonical ensemble (Q930044): Difference between revisions
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English | A generalized Hamiltonian-based algorithm for rigorous equilibrium molecular dynamics simulation in the canonical ensemble |
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A generalized Hamiltonian-based algorithm for rigorous equilibrium molecular dynamics simulation in the canonical ensemble (English)
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19 June 2008
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Nosé-Hoover thermostat
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Lennard-Jones particles
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self-diffusivity
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external forces
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