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.

*We acknowledge financial support by the Czech Science Foundation (18-24321Y), University of Ostrava (IRP201826, SGS 02/PrF/2019), and, Slovak Research and Development Agency (APVV-18-0161).

–

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