462 citations · 6.7k across the 144 of their papers we have counts for
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Efficient implementation of the parquet equations -- role of the reducible vertex function and its kernel approximation
Gang Li, Nils Wentzell, Petra Pudleiner +2
We present an efficient implementation of the parquet formalism which respects the asymptotic structure of the vertex functions at both single- and two-particle levels in momentum-…
Woptic: optical conductivity with Wannier functions and adaptive k-mesh refinement
E. Assmann, P. Wissgott, J. Kuneš +3
We present an algorithm for the adaptive tetrahedral integration over the Brillouin zone of crystalline materials, and apply it to compute the optical conductivity, dc conductivity…
Continuous-time Quantum Monte Carlo using Worm Sampling
Patrik Gunacker, Markus Wallerberger, Emanuel Gull +3
We present a worm sampling method for calculating one- and two-particle Green's functions using continuous-time quantum Monte Carlo simulations in the hybridization expansion (CT-H…
Screened moments and absence of ferromagnetism in FeAl
Anna Galler, Ciro Taranto, Markus Wallerberger +5
While the stoichiometric intermetallic compound FeAl is found to be paramagnetic in experiment, standard band-theory approaches predict the material to be ferromagnetic. We show th…
Unified picture for the colossal thermopower compound FeSb
M. Battiato, J. M. Tomczak, Z. Zhong +1
We identify the driving mechanism of the gigantic Seebeck coefficient in FeSb as the phonon-drag effect associated with an in-gap density of states that we demonstrate to deriv…
Tunable site- and orbital-selective Mott transition and quantum confinement effects in LaCaMnO nanoclusters
A. Valli, H. Das, G. Sangiovanni +2
We present a dynamical mean-field theory (DMFT) study of the charge and orbital correlations in finite-size LaCaMnO (LCMO) nanoclusters. Upon nanostructuring LC…