Browsing Science (Faculty of) by Subject "Quantum statistics"
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Hybrid Path Integral Monte Carlo/Molecular Dynamics Approach for the Simulation of Rigid Rotating and Translating Molecules
(University of Waterloo, 2020-01-23)The path integral formulation of quantum statistical mechanics [1] is widely used for formulating the partition function and diverse thermodynamic properties. The basic objective of this thesis is to present the benchmark ...