536 citations · 2.1k across the 27 of their papers we have counts for
27 papers
TB2J: a python package for computing magnetic interaction parameters
Xu He, Nicole Helbig, Matthieu J. Verstraete +1
We present TB2J, a Python package for the automatic computation of magnetic interactions, including exchange and Dzyaloshinskii-Moriya interactions, between atoms of magnetic cryst…
Octopus, a computational framework for exploring light-driven phenomena and quantum dynamics in extended and finite systems
Nicolas Tancogne-Dejean, Micael J. T. Oliveira, Xavier Andrade +31
Over the last years extraordinary advances in experimental and theoretical tools have allowed us to monitor and control matter at short time and atomic scales with a high-degree of…
Friedel oscillations of one-dimensional correlated fermions from perturbation theory and density functional theory
Jovan Odavić, Nicole Helbig, Volker Meden
We study the asymptotic decay of the Friedel density oscillations induced by an open boundary in a one-dimensional chain of lattice fermions with a short-range two-particle interac…
Dynamics of the Anderson impurity model: benchmarking a non-adiabatic exchange-correlation potential in time-dependent density functional theory
Niklas Dittmann, Nicole Helbig, Dante M. Kennes
In this comparative study we benchmark a recently developed non-adiabatic exchange-correlation potential within time-dependent density functional theory (TDDFT) (Phys.\ Rev.\ Lett.…
Equilibrium finite-frequency noise of an interacting mesoscopic capacitor studied in time-dependent density functional theory
Niklas Dittmann, Janine Splettstoesser, Nicole Helbig
We calculate the frequency-dependent equilibrium noise of a mesoscopic capacitor in time-dependent density functional theory (TDDFT). The capacitor is modeled as a single-level qua…
Structure of the first order Reduced Density Matrix in three electron systems: A Generalized Pauli Constraints assisted study
Iris Theophilou, Nektarios Lathiotakis, Nicole Helbig
We investigate the structure of the one-body Reduced Density Matrix (1RDM) of three electron systems, i.e. doublet and quadruplet spin configurations, corresponding to the smallest…