Related papers: Generalized self-energy embedding theory
We describe an efficient quantum embedding framework for realistic ab initio density matrix embedding (DMET) calculations in solids. We discuss in detail the choice of orbitals and mapping to a lattice, treatment of the virtual space and…
A general algebraic method of quantum corrections evaluation is presented. Quantum corrections to a few classical solutions (kinks and periodic) of Ginzburg-Landau (phi-in-quadro) and Sin-Gordon models are calculated in arbitrary…
Embedding theories became important approaches used for accurate calculations of both molecules and solids. In these theories, a small chosen subset of orbitals is treated with an accurate method, called an impurity solver, capable of…
The non-equilibrium steady states of integrable models are believed to be described by the Generalized Gibbs Ensemble (GGE), which involves all local and quasi-local conserved charges of the model. In this work we investigate integrable…
In this plenary talk I discuss soft-collinear effective theory (SCET) as a framework for precision QCD phenomenology. Emphasis is placed on jet and heavy flavor observables accessible at current and future collider facilities. One of the…
We present an overview of electronic device modeling using non-equilibrium Green function techniques. The basic approach developed in the early 1970s has become increasingly popular during the last 10 years. The rise in popularity was…
With gates of a quantum computer designed to encode multi-dimensional vectors, projections of quantum computer states onto specific qubit states can produce kernels of reproducing kernel Hilbert spaces. We show that quantum kernels obtained…
In this article we introduce a new class of weighted sequence spaces of Sobolev type and prove several compact embedding theorems for them. It is our contention that the chosen class is general enough so as to allow applications in various…
Machine learning has enabled the prediction of quantum chemical properties with high accuracy and efficiency, allowing to bypass computationally costly ab initio calculations. Instead of training on a fixed set of properties, more recent…
Despite a large number of nonlocal kinetic energy density functionals (KEDFs) available for large-scale calculations, most of those nonlocal KEDFs designed for the extended systems cannot be directly applied to isolated systems. In this…
A modification of an embedded-atom method (EAM)-type potential is proposed for a quantitative description of equilibrium and non-equilibrium properties of metal systems within the molecular-dynamics framework. The modification generalizes…
Transport properties of strongly correlated quantum systems are of central interest in condensed matter, ultracold atoms and in dense plasmas. There, the proper treatment of strong correlations poses a great challenge to theory. Here, we…
We present an embedding approach to treat local electron correlation effects in periodic environments. In a single, consistent framework, our plane-wave based scheme embeds a local high-level correlation calculation (here Coupled Cluster…
In this work we present a three step procedure for generating a closed form expression of the Green's function on both closed and open finite quantum graphs with general self-adjoint matching conditions. We first generalize and simplify the…
We present the Generalized Borel Transform (GBT). This new approach allows one to obtain approximate solutions of Laplace/Mellin transform valid in both, perturbative and non perturbative regimes. We compare the results provided by the GBT…
The concept of generalized Gibbs ensembles (GGEs) has been introduced to describe steady states of integrable models. Recent advances show that GGEs can also be stabilized in nearly integrable quantum systems when driven by external fields…
A class of neural networks that gained particular interest in the last years are neural ordinary differential equations (neural ODEs). We study input-output relations of neural ODEs using dynamical systems theory and prove several results…
In complex systems with many degrees of freedom such as peptides and proteins there exist a huge number of local-minimum-energy states. Conventional simulations in the canonical ensemble are of little use, because they tend to get trapped…
First-principles descriptions of correlated quantum materials require a simultaneous treatment of strong local many-body effects and nonlocal dynamical screening. We present an efficient fully self-consistent implementation of $GW$+EDMFT…
This paper introduces the Strain Elevation Tension Spring embedding (SETSe) algorithm, a graph embedding method that uses a physics model to create node and edge embeddings in undirected attribute networks. Using a low-dimensional…