Browsing Chemistry by Author "Yang, Jing"
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A Feynman Path Centroid Effective Potential Approach for the Study of Low Temperature Parahydrogen Clusters and Droplets
Yang, Jing (University of Waterloo, 2012-08-20)The quantum simulation of large molecular systems is a formidable task. We explore the use of effective potentials based on the Feynman path centroid variable in order to simulate large quantum clusters at a reduced ...