Abinit is a material-and nanostructure-oriented package that implements density-functional
theory (DFT) and many-body perturbation theory (MBPT) to find, from first principles …

ABSTRACT ABINIT is probably the first electronic-structure package to have been released
under an open-source license about 20 years ago. It implements density functional theory …

The WIEN2k program is based on the augmented plane wave plus local orbitals (APW+ lo)
method to solve the Kohn–Sham equations of density functional theory. The APW+ lo …

Motivated by the report of superconductivity in bilayer La 3 Ni 2 O 7 at high pressure, we
examine the interacting electrons in this system. First-principles many-body theory is utilized …

Strong electronic correlations pose one of the biggest challenges to solid state theory.
Recently developed methods that address this problem by starting with the local, eminently …

Numerical results for ground-state and excited-state properties (energies, double
occupancies, and Matsubara-axis self-energies) of the single-orbital Hubbard model on a …

The correlated electronic structure of the infinite-layer compounds NdNiO 2 and SrCuO 2 at
stoichiometry and with finite hole doping is compared. Key differences are elucidated from …

The Hubbard model represents the fundamental model for interacting quantum systems and
electronic correlations. Using the two-dimensional half-filled Hubbard model at weak …

We use the topological heavy fermion (THF) model and its Kondo lattice (KL) formulation to
study the possibility of a symmetric Kondo (SK) state in twisted bilayer graphene. Via a large …

We present TRIQS/CTHYB, a state-of-the art open-source implementation of the continuous-
time hybridisation expansion quantum impurity solver of the TRIQS package. This code is …