A Feynman Path Centroid Effective Potential Approach for the Study of Low Temperature Parahydrogen Clusters and Droplets
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 computational cost. This centroid can be viewed as the “most” classical variable of...
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| Language: | en |
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2012
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| Online Access: | http://hdl.handle.net/10012/6861 |