Related papers: Configuration interaction approaches for solving q…
We study a localized spin coupled to an Anderson impurity to model the situation found in higher transition metal or rare earth compounds like e.g.\ LaMnO$_3$ or Gd monopnictides. We find that, even for large quantum numbers of the…
Our current understanding of strongly correlated electron systems is based on a homogeneous framework. Here we take a step going beyond this paradigm by incorporating inhomogeneity from the beginning. Specifying to systems near the Mott…
We develop a quantum embedding method that enables accurate and efficient treatment of interactions between molecules and an environment, while explicitly including many-body correlations. The molecule is composed of classical nuclei and…
We construct the boundary conformal field theory that describes the low-temperature behavior of the two-channel Anderson impurity model. The presence of an exactly marginal operator is shown to generate a line of stable fixed points…
Molecular-level understanding of the interactions between the constituents of an atomic structure is essential for designing novel materials in various applications. This need goes beyond the basic knowledge of the number and types of…
Metamaterials are fascinating tools that can structure not only surface plasmons and electromagnetic waves but also electromagnetic vacuum fluctuations. The possibility of shaping the quantum vacuum is a powerful concept that ultimately…
The construction of good effective models is an essential part of understanding and simulating complex systems in many areas of science. It is a particular challenge for correlated many body quantum systems displaying emergent physics. We…
We study the electronic coupling between an adsorbate and a metal surface by calculating tunneling matrix elements H$_{\text{ad}}$ directly from first principles. For this we employ a projection of the Kohn-Sham Hamiltonian upon a diabatic…
The Hubbard model, which augments independent-electron band theory with a single parameter to describe electron-electron correlations, is widely regarded to be the `standard model' of condensed matter physics. The model has been remarkably…
Exploration of structure-property relationships as a function of dopant concentration is commonly based on mean field theories for solid solutions. However, such theories that work well for semiconductors tend to fail in materials with…
A new supersymmetric model for electrons with generalized hopping terms and Hubbard interaction on a one-dimensional lattice is solved by means of the Bethe Ansatz. We investigate the phase diagram of this model by studying the ground state…
In this Letter we investigate the properties of a quantum impurity model in the presence of additional many-body interactions between mobile carriers. The fundamental question which is addressed here is how the interactions in the charge…
Zero-seniority methods have shown great promise for the description of strongly-correlated electronic systems. Other seniority sectors have been much less explored, and in particular the maximal seniority sector and zero seniority have the…
We generalize the bosonization methods for systems in the half line that we discussed elsewhere, to study the effects of interactions on electronic systems coupled to impurities. We introduce a model for a quantum wire coupled with a…
We investigate the electronic properties of an exemplar transition metal impurity in an insulator, with the goal of accurately describing strongly correlated, defect states. We consider iron in aluminum nitride, a material of interest for…
Electronic correlations and spin-orbit interactions in plutonium create variations in the bonding behavior of each of its allotropes. In $\delta$-Pu, the 5f electrons lie at the tipping point between itinerant and localized behavior which…
Thermalizing and localized many-body quantum systems present two distinct dynamical phases of matter. Recently, the fate of a localized system coupled to a thermalizing system viewed as a quantum bath received significant theoretical and…
The Newns-Anderson Hamiltonian is widely used to describe adsorption at gas-solid interfaces, yet its construction typically relies on simplifying assumptions such as constant coupling and the wideband limit approximation. Here, we present…
We review recently introduced numerical methods for the unbiased detection of the order parameter and/or dominant correlations, in many-body interacting systems, by using reduced density matrices. Most of the paper is devoted to the…
The determination of the effective Coulomb interactions to be used in low-energy Hamiltonians for materials with strong electronic correlations remains one of the bottlenecks for parameter-free electronic structure calculations. We propose…