Accuracy limits of quantum Monte Carlo in the weak-interaction limit
ORAL
Abstract
Fixed-node diffusion Monte Carlo (FNDMC) method with single-determinant (SD) trial wave functions gains popularity as a scalable benchmark approach suitable for large noncovalent systems. The talk will summarize recent improvements and accuracy limits of the best available bias-cancellation-based SD FNDMC computational protocol suitable for a large class of noncovalent systems.
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Presenters
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Roman Fanta
Department of Physics, University of Ostrava
Authors
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Roman Fanta
Department of Physics, University of Ostrava
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Matus Dubecky
Advanced Technologies Research Institute, Slovak University of Technology in Bratislava, Department of Physics, University of Ostrava