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Diagrammatic Monte Carlo for real materials

ORAL

Abstract

We present a systematic method for reaching beyond the GW approximation by Diagrammatic Monte Carlo (DiagMC) for first-principle simulations of real materials. DiagMC is used to provide an efficient estimation of higher-order self-energy and polarisability diagrams to achieve a controlled solution for ab initio Hamiltonians.

Presenters

  • Sam Azadi

    Physics, King's College London

Authors

  • Sam Azadi

    Physics, King's College London

  • Arkadiy Davydov

    Physics, University of Zurich

  • Evgeny Kozik

    Department of Physics, King's College London, Physics, King's College London, Kings Coll, King's College London