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: LaSrCuO and several orbitally ordered materials.
Availability note (English)
Available from: https://www.dpg-verhandlungen.de/Additional details
Identifiers
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)