Berlin 2018 – wissenschaftliches Programm
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TT: Fachverband Tiefe Temperaturen
TT 15: Dual-Method Approaches to Quantum Many-Body Systems I
TT 15.6: Vortrag
Montag, 12. März 2018, 16:15–16:30, H 0104
Lattice susceptibility calculations via a generalized CT-Hyb QMC DMFT solver — •Julian Mußhoff1,2, Amin Kiani1, and Eva Pavarini1,3 — 1Forschungszentrum Juelich GmbH, Institute for Advanced Simulation, Juelich, Germany — 2RWTH Aachen University, Aachen, Germany — 3JARA-HPC, RWTH Aachen University, Aachen, Germany
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: La2−xSrxCuO4 and several orbitally ordered materials.
A. Flesch, E. Gorelov, E. Koch, E. Pavarini, Phys. Rev. B 87, (2013) 195141
H. Shinaoka, J. Otsuki, M. Ohzeki, K. Yoshimi, Phys. Rev. B 96, (2017) 035147