Related papers: Efficient computational screening of strongly corr…
Strong/static electronic correlation mediates the emergence of remarkable phases of matter, and underlies the exceptional reactivity properties in transition metal-based catalysts. Modeling strongly correlated molecules and solids calls for…
Understanding the interplay between electronic correlations and band topology remains a central challenge in condensed matter physics, primarily hindered by a language mismatch problem. While band topology is naturally formulated within a…
The ghost Gutzwiller ansatz (gGut) embedding technique was shown to achieve comparable accuracy to the gold standard dynamical mean-field theory method in simulating real material properties, yet at a much lower computational cost. Despite…
We present benchmark calculations of the Anderson lattice model based on the recently-developed "ghost Gutzwiller approximation". Our analysis shows that, in some parameters regimes, the predictions of the standard Gutzwiller approximation…
We study the effect of spatial inhomogeneity on the physics of a strongly correlated electron system exhibiting a metallic phase and a Mott insulating phase, represented by the simple Hubbard model. In three dimensions, we consider various…
Establishing the underlying links between the diverse landscape of theoretical frameworks for simulating strongly correlated matter is crucial for advancing our understanding of these systems. In this work, we focus on the Ghost Gutzwiller…
Assessing the presence of chemical, biological, radiological and nuclear threats is a crucial task which is usually dealt with by analyzing the presence of spectral features in a measured absorption profile. The use of quantum light allows…
Dynamical screening is a key property of charged many-particle systems. Its theoretical description is based on the $GW$ approximation that is extensively applied for ground-state and equilibrium situations but also for systems driven out…
In this tutorial-style review we discuss basic concepts of coupled cluster theory and recent developments that increase its computational efficiency for calculations of molecules, solids and materials in general. We will touch upon the…
Like light, gravitational waves can be gravitationally lensed by massive objects along their travel path. Strong lensing produces several images from the same binary coalescence and is forecasted to have a promising rate in ground-based…
Rapid progress in noisy intermediate-scale quantum (NISQ) computing technology has led to the development of novel resource-efficient hybrid quantum-classical algorithms, such as the variational quantum eigensolver (VQE), that can address…
The theoretical understanding of emergent phenomena in quantum materials is one of the greatest challenges in condensed matter physics. In contrast to simple materials such as noble metals and semiconductors, macroscopic properties of…
The minimum of the Gutzwiller energy functional depends on the number of parameters considered in the variational state. For a three-orbital Hubbard model we find that the frequently used diagonal Ansatz is very accurate in high-symmetry…
We give a detailed description of a recently proposed first principles approach to the electronic structure of strongly correlated materials. The method combines the GW approximation with dynamical mean field theory. It is designed to…
Quantum computing has shown great potential in various quantum chemical applications such as drug discovery, material design, and catalyst optimization. Although significant progress has been made in quantum simulation of simple molecules,…
The difficult task of observing Dark Matter subhaloes is of paramount importance since it would constrain Dark Matter particle properties (cold or warm relic) and confirm once again the longstanding $\Lambda$CDM model. In the near future…
Gravitational wave (GW) observations probe both a diffuse, stochastic gravitational wave background (SGWB) as well as individual cataclysmic events such as the merger of two compact objects. The detection and description of the…
An accurate description of strong correlation is quintessential for the exploration of emerging chemical phenomena. While near-term variational quantum algorithms provide a theoretically scalable framework for quantum chemical problems, the…
Motivated by gauge coupling unification and dark matter, we present an extension to the Standard Model where both are achieved by adding an extra new matter multiplet. Such considerations lead to a Grand Unified Theory with very heavy…
Owing to the forecasted improved sensitivity of ground-based gravitational-wave detectors, new research avenues will become accessible. This is the case for gravitational-wave strong lensing, predicted with a non-negligible observation rate…