Coherent cellular dynamical mean-field theory: a real-space quantum embedding approach to disorder in strongly correlated electron systems

DOI

Supplemental data for manuscript: Coherent cellular dynamical mean-field theory: a real-space quantum embedding approach to disorder in strongly correlated electron systems ==================== ### Authors: Patrick Tscheppe, Marcel Klett, Henri Menke, Sabine Andergassen, Niklas Enderlein, Philipp Hansmann, and Thomas Schäfer #### Arxiv: 2503.10364 Description of the files --------------------- Each zip file contains the data analyzed in the respective figure shown in the manuscript. * Figures 2, 3, 9, 11: disorder averaged real-frequency Green function data. The imaginary offset can be reduced by analytic continuation. * Figures 6 and 7: disorder averaged Matsubara Green function data * Figure 8: Matsubara Green functions for each configuration of the disorder potential Most files are stored in HDF5 format (see https://docs.h5py.org/en/stable/), with the exception of the 1x1 BEB quantities in figure 3, which are stored using python's shelve module (https://docs.python.org/3/library/shelve.html). Naming conventions --------------------- * Figure 2: all files follow the format "HALF-FILLING-N_cxN_c-W#-c0.5-beta10.para.h5", where N_c denotes the linear cluster size and the number # following W is the diagonal disorder strength * Figure 3: single site BEB results follow the format "BEB-1x1-W#-t1.01.0-c0.5-beta10.para", where the number # following W is the diagonal disorder strength. 4x4 cluster data follows the format "BEB_2d-4x4site.c0.50-W#-tAA1.00-tAB0.50-tBB1.00.U0.00-beta10.00-size4x4-n1.00.para.h5". * Figure 6: purely diagonal disorder files follow the format "INT-2x2-U#-W#-c0.5-beta10.N_cxN_csite.para.h5", where N_c denotes the linear cluster size and the number # following U is the interaction strength and the number # following W is the diagonal disorder strength. For purely offdiagonal disorder all files follow the format "ODD_MOTT-2x2site.c0.50-W0.00-tAA1.37-tAB0.20-tBB1.37.U#-beta10.00-size2x2-n1.00.para.h5", where the number # following U is the interaction strength. * Figures 7 and 8: all files follow the format "AF_RESPONSE-2x2site.c0.50-W#-tAA#-tAB#-tBB#.U#-beta#-size2x2-n1.00.af-B#.h5", where the number # following W denotes the diagonal disorder strength, the numbers # following tAA, tAB, tBB denote the hopping parameters, the number # following U is the interaction strength, the number # following beta the inverse temperature, and the number # following B is a small applied magnetic field. * Figure 9: all files follow the format "1D_#site-c0.50-W4.00-tAA1.00-tAB1.00-tBB1.00.para", where the number of sites is denoted by # * Figures 10 and 11: all files follow the format "BEB_2d-2x2site.c0.50-W#-tAA1.00-tAB1.00-tBB1.00.U0.00-beta10.00-size2x2-n1.00.para.h5", where the number # following W denotes the diagonal disorder strength. Reading the files --------------------- The HDF5 Green function data can be accessed using the keys [results]['Gloc']. Results for the last four iterations are saved (n0 to n3), and the final iteration is indexed by ['Gloc_n3']. Additional data about the run parameters can be found in ['params']. The Green function cluster components are indexed as G_loc[i,j], where i, j are the cluster sites labeled as in Fig. 4 in the manuscript. For BEB Green functions i and j label the direct product space of cluster sites $\otimes$ component indices. Additionally, for figures 7, 8 and 11 the Green functions possess a spin structure to account for the magnetic order. Here the indices label the direct product spin $\otimes$ cluster sites $\otimes$ components.

Identifier
DOI https://doi.org/10.17617/3.BTYVYP
Metadata Access https://edmond.mpg.de/api/datasets/export?exporter=dataverse_json&persistentId=doi:10.17617/3.BTYVYP
Provenance
Creator Schäfer, Thomas; Tscheppe
Publisher Edmond
Publication Year 2025
OpenAccess true
Contact t.schaefer(at)fkf.mpg.de; ptscheppe(at)flatironinstitute.org
Representation
Language English
Resource Type Dataset
Version 1
Discipline Other