Efficient method of finite-size correction in quantum Monte Carlo calculations

POSTER

Abstract

We present a simple but efficient method of finite size correction for metallic crystals [1]. Our method is based on an accurate combination of twist averaging boundary condition and density functional theory. We compare our method with several previously introduced schemes. Our quantum Monte Carlo results for lithium and aluminium show the accuracy and practicality of our method. :1] Sam Azadi, and W. M. C. Foulkes, J. Chem. Phys. \textbf{143}, 102807 (2015).

Authors

  • Sam Azadi

    Department of Physics and Tomas Young Centre, University College London, Department of Physics and Thomas Young Centre, University College London

  • Matthew Foulkes

    Imperial College London, Department of Physics, Imperial College London