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Published in 2021 at "Chemical Physics Letters"
DOI: 10.1016/j.cplett.2020.138167
Abstract: Abstract Importance sampling in Diffusion Monte Carlo has a long history. However, only recently, simulations of ground state properties have been extended to spaces mapped with non-Cartesian coordinates. We demonstrate that in spaces with nonzero…
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Keywords:
gradient torsion;
monte carlo;
diffusion monte;