w2dynamics: Local one- and two-particle quantities from dynamical mean field theory

2018/01/31 by Markus Wallerberger, Andreas Hausoel, Patrik Gunacker +5 · 2 citations
Physics and Astronomy · #cond-mat.str-el #physics.comp-ph

paper · pdf · doi:10.1016/j.cpc.2018.09.007

published as Comput. Phys. Commun. 235, 388-399 (2019) · 28 pages, 5 tables, 3 figures; submitted to Comput. Phys. Commun

arxiv created 2018/08/16 · arxiv updated 2018/11/19

Abstract

We describe the hybridization-expansion continuous-time quantum Monte Carlo code package "w2dynamics", developed in Wien and Würzburg. We discuss the main features of this multi-orbital quantum impurity solver for the Anderson impurity model, dynamical mean field theory as well as its coupling to density functional theory. The w2dynamics package allows for calculating one- and two-particle quantities; it includes worm and further novel sampling schemes. Details about its download, installation, functioning and the relevant parameters are provided.

Cited by

• Emergence of spin entanglement with the pseudogap onset in the Fermi-Hubbard model
• Ultrahigh room-temperature hole conductivity in a perovskite cuprate with vanishing electron-correlation

Related

• Dynamical mean field theory with quantum computing
• TRIQS/CTHYB: A continuous-time quantum Monte Carlo hybridisation expansion solver for quantum impurity problems
• Strong coupling quantum impurity solver on the real and imaginary axis
• Efficiency of quantum Monte Carlo impurity solvers for the dynamical mean-field theory
• Projective Quantum Monte Carlo Method for the Anderson Impurity Model and its Application to Dynamical Mean Field Theory