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From classical to quantum and back: Hamiltonian adaptive resolution path integral, ring polymer, and centroid molecular dynamics

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Kreis,  Karsten
Dept. Kremer: Polymer Theory, MPI for Polymer Research, Max Planck Society;

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Kremer,  Kurt
Dept. Kremer: Polymer Theory, MPI for Polymer Research, Max Planck Society;

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Potestio,  Raffaello
Dept. Kremer: Polymer Theory, MPI for Polymer Research, Max Planck Society;

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Kreis, K., Kremer, K., Potestio, R., & Tuckerman, M. E. (2017). From classical to quantum and back: Hamiltonian adaptive resolution path integral, ring polymer, and centroid molecular dynamics. The Journal of Chemical Physics, 147(24): 244104. doi:10.1063/1.5000701.


Cite as: http://hdl.handle.net/21.11116/0000-0000-2ACC-C
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