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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.

Presenters

  • Roman Fanta

    Department of Physics, University of Ostrava

Authors

  • Roman Fanta

    Department of Physics, University of Ostrava

  • Matus Dubecky

    Advanced Technologies Research Institute, Slovak University of Technology in Bratislava, Department of Physics, University of Ostrava