Accelerating Ab Initio Path Integral Simulations via Imaginary Multiple-Timestepping-Reference-Cited by-同舟云学术

Accelerating Ab Initio Path Integral Simulations via Imaginary Multiple-Timestepping

Published:2016-03-25 Issue:4 Volume:12 Page:1627-1638
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Cheng Xiaolu¹,Herr Jonathan D.¹,Steele Ryan P.¹

Affiliation:

1. Department of Chemistry and Henry Eyring Center for Theoretical Chemistry, University of Utah, 315 South 1400 East, Salt Lake City, Utah 84112, United States

Funder

Division of Chemistry

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.6b00021

Reference105 articles.

1. Exploiting the isomorphism between quantum theory and classical statistical mechanics of polyatomic fluids

2. Path Integrals in Quantum Mechanics, Statistics, Polymer Physics, and Financial Markets

3. On the Simulation of Quantum Systems: Path Integral Methods

4. A quantum‐statistical Monte Carlo method; path integrals with boundary conditions

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