Accelerating the Convergence and Reducing the Variance of Path Integral Calculations of Quantum Mechanical Free Energies by Using Local Reference Potentials
Author:
Affiliation:
1. Department of Chemistry and Supercomputing Institute, University of Minnesota, 207 Pleasant St. S.E., Minneapolis, Minnesota 55455-0431, United States
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/ct300098p
Reference51 articles.
1. Convenient and accurate discretized path integral methods for equilibrium quantum mechanical calculations
2. Low‐temperature approximations for Feynman path integrals and their applications in quantum equilibrium and dynamical problems
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