activity
20152019
most citedTRIQS/DFTTools: A TRIQS application for ab initio calculations of correlated materials

207 citations · 395 across the 5 of their papers we have counts for

collaborators

5 papers

cond-mat.str-el2019★ 7 cited

Thermopower of the electron-doped manganese pnictide LaMnAsO

Manuel Zingl, Gernot J. Kraberger, Markus Aichhorn

Upon chemical substitution of oxygen with fluor, LaMnAsO has been electron-doped in experiments, resulting in samples with remarkably high Seebeck coefficients of around -300$μVK^{…

cond-mat.str-el2018★ 20 cited

Spin-orbit coupling and correlations in three-orbital systems

Robert Triebl, Gernot J. Kraberger, Jernej Mravlje +1

We investigate the influence of spin-orbit coupling in strongly-correlated multiorbital systems that we describe by a three-orbital Hubbard-Kanamori model on a Bethe lattice. W…

cond-mat.str-el2018★ 52 cited

Charge self-consistent many-body corrections using optimized projected localized orbitals

Malte Schüler, Oleg E. Peil, Gernot J. Kraberger +5

In order for methods combining ab initio density-functional theory and many-body techniques to become routinely used, a flexible, fast, and easy-to-use implementation is crucial. W…

cond-mat.str-el2017★ 109 cited

Maximum entropy formalism for the analytic continuation of matrix-valued Green's functions

Gernot J. Kraberger, Robert Triebl, Manuel Zingl +1

We present a generalization of the maximum entropy method to the analytic continuation of matrix-valued Green's functions. To treat off-diagonal elements correctly based on Bayesia…

cond-mat.str-el2015★ 207 cited

TRIQS/DFTTools: A TRIQS application for ab initio calculations of correlated materials

Markus Aichhorn, Leonid Pourovskii, Priyanka Seth +9

We present the TRIQS/DFTTools package, an application based on the TRIQS library that connects this toolbox to realistic materials calculations based on density functional theory (…