Multiple time scales in classical and quantum-classical molecular dynamics (Q1305946): Difference between revisions

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+https://doi.org/10.1006/jcph.1998.6142
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+RATTLE: A ''velocity'' version of the SHAKE algorithm for molecular dynamics calculations
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+The Midpoint Scheme and Variants for Hamiltonian Systems: Advantages and Pitfalls
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+Realization of holonomic constraints and freezing of high frequency degrees of freedom in the light of classical perturbation theory. II
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+Dangers of multiple time step methods
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+A modular molecular dynamics / quantum dynamics program for non-adiabatic proton transfers in solution
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+Homogenization in time of singularly perturbed mechanical systems
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+On the Singular Limit of the Quantum-Classical Molecular Dynamics Model
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+Homogenization of Hamiltonian systems with a strong constraining potential
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+Symplectic numerical integrators in constrained Hamiltonian systems
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+Smoothed dynamics of highly oscillatory Hamiltonian systems
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+Modified potential energy functions for constrained molecular dynamics
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+Motion under a strong constraining force
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+Publication:1305946