Entangled trajectories Hamiltonian dynamics for treating quantum nuclear effects
Author:
Affiliation:
1. Department of Chemistry, University at Buffalo, The State University of New York, Buffalo, New York 14260-3000, USA
Funder
University at Buffalo
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.5022573
Reference58 articles.
1. Nuclear Quantum Effects in Water and Aqueous Systems: Experiment, Theory, and Current Challenges
2. Ring-Polymer Molecular Dynamics: Quantum Effects in Chemical Dynamics from Classical Trajectories in an Extended Phase Space
3. Nuclear Quantum Effects in Water Reorientation and Hydrogen-Bond Dynamics
4. Quantum Effects in the Diffusion of Hydrogen on Ru(0001)
5. Competing quantum effects in the free energy profiles and diffusion rates of hydrogen and deuterium molecules through clathrate hydrates
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