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Dynamical basis for the Poincaré stresses

✍ Scribed by Philip D. Mannheim


Book ID
116142426
Publisher
Elsevier Science
Year
1978
Tongue
English
Weight
724 KB
Volume
143
Category
Article
ISSN
0550-3213

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The Nosé–Poincaré Method for Constant Te
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We present a new extended phase space method for constant temperature (canonical ensemble) molecular dynamics. Our starting point is the Hamiltonian introduced by Nosé to generate trajectories corresponding to configurations in the canonical ensemble. Using a Poincaré time-transformation, we constru