w2dynamics: Local one- and two-particle quantities from dynamical mean field theory
| Autor: | Markus Wallerberger, Patrik Gunacker, Alexander Kowalski, Nicolaus Parragh, Andreas Hausoel, Giorgio Sangiovanni, Florian Goth, Karsten Held |
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| Jazyk: | angličtina |
| Rok vydání: | 2018 |
| Předmět: |
Physics
Strongly Correlated Electrons (cond-mat.str-el) Fortran Lattice problem NumPy Quantum Monte Carlo General Physics and Astronomy Propagator FOS: Physical sciences Solver Python (programming language) Computational Physics (physics.comp-ph) 01 natural sciences 010305 fluids & plasmas Condensed Matter - Strongly Correlated Electrons Hardware and Architecture 0103 physical sciences Computer Science::Mathematical Software Statistical physics 010306 general physics computer Anderson impurity model Physics - Computational Physics computer.programming_language |
| Popis: | We describe the hybridization-expansion continuous-time quantum Monte Carlo code package "w2dynamics", developed in Wien and W\"urzburg. 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. Comment: 28 pages, 5 tables, 3 figures; submitted to Comput. Phys. Commun |
| Databáze: | OpenAIRE |
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