Related papers: Testing self-energy embedding theory in combinatio…
We introduce a systematic hierarchy of one-body Green's function methods derived from the $GW$ approximation, constructed by progressively reducing the dynamical content of the self-energy. Starting from the fully dynamical Dyson…
Boundary effects produced by a Chern-Simons (CS) extension to electrodynamics are analyzed exploiting the Green's function (GF) method. We consider the electromagnetic field coupled to a $\theta$-term in a way that has been proposed to…
While two-dimensional symmetry-enriched topological phases ($\mathsf{SET}$s) have been studied intensively and systematically, three-dimensional ones are still open issues. We propose an algorithmic approach of imposing global symmetry…
The $GW$ approximation has become a method of choice for predicting quasiparticle properties in solids and large molecular systems, owing to its favorable accuracy-cost balance. However, its accuracy is the result of a fortuitous…
We demonstrate in this work the transferability of self-energy(SE) correction(SEC) of Kohn-Sham(KS) single particle states from smaller to larger systems, when mapped through localized orbitals constructed from the KS states. The approach…
We report an all-electron, atomic orbital (AO) based, two-component (2C) implementation of the $GW$ approximation (GWA) for closed-shell molecules. Our algorithm is based on the space-time formulation of the GWA and uses analytical…
Perturbation theory using self-consistent Green's functions is one of the most widely used approaches to study many-body effects in condensed matter. On the basis of general considerations and by performing analytical calculations for the…
Stepped wedge cluster randomized trials (SW-CRTs) have become increasingly popular and are used for a variety of interventions and outcomes, often chosen for their feasibility advantages. SW-CRTs must account for time trends in the outcome…
Quantum many-body methods provide a systematic route to computing electronic properties of molecules and materials, but high computational costs restrict their use in large-scale applications. Due to the complexity in many-electron…
These lectures aim to provide a pedagogical introduction to the philosophical underpinnings and technical features of Effective Field Theory (EFT). Improving control of $S$-matrix elements in the presence of a large hierarchy of physical…
We present an implementation of Triplet Excitation-Energy Transfer (TEET) couplings based on subsystem-based Time-Dependent Density-Functional Theory (sTDDFT). TEET couplings are systematically investigated by comparing "exact" and…
We compare the pole structure of the electronic Green's function obtained by Cluster Dynamical Mean Field Theory to the results from the fractionalized Pair Density Wave idea. In the superconducting phase, we can consider the system in a…
Over the years, Hedin's $GW$ self-energy has been proven to be a rather accurate and simple approximation to evaluate electronic quasiparticle energies in solids and in molecules. Attempts to improve over the simple $GW$ approximation, the…
We present an efficient implemention of a non-equilibrium Green function (NEGF) method for self-consistent calculations of electron transport and forces in nanostructured materials. The electronic structure is described at the level of…
Given the inherent class imbalance issue within student performance datasets, samples belonging to the edges of the target class distribution pose a challenge for predictive machine learning algorithms to learn. In this paper, we introduce…
Entity alignment is crucial for merging knowledge across knowledge graphs, as it matches entities with identical semantics. The standard method matches these entities based on their embedding similarities using semi-supervised learning.…
The existence of a mass gap between the Standard Model (SM) and possible new states encourages us to use effective field theories. Here we follow the non-linear realization of the electroweak symmetry breaking: the electroweak effective…
We examine the performance of the density matrix embedding theory (DMET) recently proposed in [G. Knizia and G. K.-L. Chan, Phys. Rev. Lett. 109, 186404 (2012)]. The core of this method is to find a proper one-body potential that generates…
To the best of the authors' knowledge, this work presents the first large-scale indoor experimental assessment of an implementation of the emerging Smart ElectroMagnetic Environment (SEME) paradigm, which is based on the deployment of…
Site-occupation embedding theory (SOET) is an in-principle-exact multi-determinantal extension of density-functional theory for model Hamiltonians. Various extensions of recent developments in SOET [Senjean et al., Phys. Rev. B 97, 235105…