Herman-Kluk propagator is free from zero-point energy leakage
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference90 articles.
1. Ab initio molecular dynamics: basic theory and advanced methods;Marx,2009
2. Statistical mechanics: theory and molecular simulation;Tuckerman,2010
3. QUANTUM MECHANICAL METHODS FOR ENZYME KINETICS
4. Simulations of the Large Kinetic Isotope Effect and the Temperature Dependence of the Hydrogen Atom Transfer in Lipoxygenase
5. Zero point energy leakage in condensed phase dynamics: An assessment of quantum simulation methods for liquid water
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