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TT: Fachverband Tiefe Temperaturen
TT 91: Correlated Electrons: Method Development
TT 91.9: Talk
Thursday, March 15, 2018, 17:15–17:30, H 0104
Applications of time-dependent full configuration interaction quantum monte carlo — •Kai Guther1, Werner Dobrautz1, Olle Gunnarsson1, and Ali Alavi1,2 — 1Max-Planck Institute for Solid State Research, Stuttgart, Germany — 2University of Cambridge, Cambridge, United Kingdom
We employ the full configuration interaction quantum monte carlo [1] method to compute spectral functions of correlated electron systems by the means of complex time evolution [2] in combination with a Maximum Entropy Method [3] analytic continuation approach.
We discuss the dependence of the resulting spectral functions on the chosen
complex time contour and simulation parameters and discuss the effect of
the stochastic approximation. We study the effect of the chosen integrator for
the time-evolution on a few examples and conclude that a second-order Runge-Kutta
integrator is well-suited for our application. We discuss possible applications in a
self-consistent DMFT scheme.
G. H. Booth, A. J. W. Thom, and A. Alavi, The Journal
of Chemical Physics 131, 054106 (2009)
K. Guther, W. Dobrautz, O. Gunnarsson, A. Alavi, arXiv:1709.00218
M. Jarrell and J. Gubernatis, Phys. Rep. 269, 133 (1996)