Published 2018 | Version v1
Journal article

Lattice susceptibility calculations via a generalized CT-Hyb QMC DMFT solver

  • 1. RWTH Aachen University, Aachen (Germany)
  • 2. Forschungszentrum Juelich GmbH, Institute for Advanced Simulation, Juelich (Germany)
  • 3. JARA-HPC, RWTH Aachen University, Aachen (Germany)

Description

Linear-response functions are essential for comparing theory to experiments, and yet for strongly correlated systems their calculation is very challenging. The state-of-the-art technique for real materials is based on the dynamical mean-field (DMFT) approach and the local-vertex approximation. The bottleneck of this method is the calculation of local susceptibilities. Here we present an efficient scheme based on the massively-parallel general implementation of the continuous-time quantum Monte Carlo impurity solver of Ref. [1]. We use both the Legendre polynomial representation and a recently proposed numerical basis [2], and compare efficiency. To calculate lattice susceptibilities we solve the Bethe-Salpeter equation. We present results for the static and dynamical response functions of representative systems: La2xSrxCuO4 and several orbitally ordered materials.

Availability note (English)

Available from: https://www.dpg-verhandlungen.de/

Additional details

Publishing Information

Journal Title
Verhandlungen der Deutschen Physikalischen Gesellschaft
Journal Issue
Berlin 2018 issue
Journal Page Range
[1 p.]
ISSN
0420-0195
CODEN
VDPEAZ

Conference

Title
DPG Spring meeting 2018 - Joint Meeting of the DPG and EPS Condensed Matter Divisions together with the Statistical and Nonlinear Physics Division of the EPS and the working groups Equal Opportunities (DPG), Industry and Business (DPG), Young DPG, Philosophy of Physics (DPG), EPS Young Minds, EPS History of Physics Group
Acronym
CMD27
Dates
11-16 Mar 2018
Place
Berlin (Germany)

INIS

Country of Publication
Germany
Country of Input or Organization
Germany
INIS RN
50065371
Subject category
S73: NUCLEAR PHYSICS AND RADIATION PHYSICS; S75: CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY;
Resource subtype / Literary indicator
Conference
Descriptors DEI
BASES; BETHE-SALPETER EQUATION; LEGENDRE POLYNOMIALS; MEAN-FIELD THEORY; MONTE CARLO METHOD; RESPONSE FUNCTIONS
Descriptors DEC
CALCULATION METHODS; EQUATIONS; FUNCTIONS; POLYNOMIALS

Optional Information

Notes
Session: TT 15.6 Mo 16:15; Also available as printed version: Verhandlungen der Deutschen Physikalischen Gesellschaft v. 53(3)