Fine tuning classical and quantum molecular dynamics using a generalized Langevin equation
Author:
Affiliation:
1. Laboratory of Computational Science and Modelling, Institute of Materials, Ecole Polytechnique Fédérale de Lausanne, Lausanne, Switzerland
Funder
Max-Planck-Gesellschaft (MPG)
Schweizerischer Nationalfonds zur Förderung der Wissenschaftlichen Forschung (SNF)
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.4990536
Reference45 articles.
1. The formulation of quantum statistical mechanics based on the Feynman path centroid density. IV. Algorithms for centroid molecular dynamics
2. Quantum statistics and classical mechanics: Real time correlation functions from ring polymer molecular dynamics
3. How to remove the spurious resonances from ring polymer molecular dynamics
4. Comparison of path integral molecular dynamics methods for the infrared absorption spectrum of liquid water
5. On the applicability of centroid and ring polymer path integral molecular dynamics for vibrational spectroscopy
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