Related papers: Coupled cluster Green's function-Past, Present, an…
This study explores the benefits of integrating the novel clustered federated learning (CFL) approach with non-orthogonal multiple access (NOMA) under non-independent and identically distributed (non-IID) datasets, where multiple devices…
An acceleration of continuous time quantum Monte Carlo (CTQMC) methods is a potentially interesting branch of work as they are matchless as impurity solvers of a density functional theory in combination with a dynamical mean field theory…
We present a molecular extension of our recently proposed Green's function embedding method, interacting-bath dynamical embedding theory (ibDET), for computing charged excitation energies at the $GW$ and EOM-CCSD levels. Starting from…
Green's function theory has emerged as a powerful many-body approach not only in condensed matter physics but also in quantum chemistry in recent years. We have developed a new all-electron implementation of the BSE@GW formalism using…
There is extensive current interest about electronic topology in correlated settings. In strongly correlated systems, contours of Green's function zeros may develop in frequency-momentum space, and their role in correlated topology has…
Quantum embedding methods have recently developed significantly to model large molecular structures. This work proposes a novel wave function theory in density functional theory (WTF-in-DFT) embedding scheme based on pair-coupled cluster…
The single-particle Green's function (GF) of mesoscopic structures plays a central role in mesoscopic quantum transport. The recursive GF technique is a standard tool to compute this quantity numerically, but it lacks physical transparency…
We discuss the general form of the transmission spectrum through a molec- ular junction in terms of the Green function of the isolated molecule. By introducing a tight binding method, we are able to translate the Green func- tion properties…
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…
Electron-phonon interactions are of great importance to a variety of physical phenomena, and their accurate description is an important goal for first-principles calculations. Isolated examples of materials and molecular systems have…
This paper presents Constrained Centroid Clustering (CCC), a method that extends classical centroid-based clustering by enforcing a constraint on the maximum distance between the cluster center and the farthest point in the cluster. Using a…
Graph-based clustering methods have demonstrated the effectiveness in various applications. Generally, existing graph-based clustering methods first construct a graph to represent the input data and then partition it to generate the…
The electromagnetic Green's function is a crucial ingredient for the theoretical study of modern photonic quantum devices, but is often difficult or even impossible to calculate directly. We present a numerically efficient framework for…
We propose a streamlined combination scheme of the transcorrelation (TC) and coupled cluster (CC) theory, which not only increases the convergence rate with respect to the basis set, but also extends the applicability of the lowest order CC…
An externally corrected coupled cluster (CC) method, where an adaptive configuration interaction (ACI) wave function provides the external cluster amplitudes, named ACI-CC, is presented. By exploiting the connection between configuration…
We report a linear-scaling random Green's function (rGF) method for large-scale electronic structure calculation. In this method, the rGF is defined on a set of random states to stochastically express the density matrix, and rGF is…
We survey the development of Clifford's geometric algebra and some of its engineering applications during the last 15 years. Several recently developed applications and their merits are discussed in some detail. We thus hope to clearly…
The resonant interaction between x-ray photons and nuclei is one of the most exciting subjects of the burgeoning field of x-ray quantum optics. A resourceful platform used so far are thin-film x-ray cavities with embedded layers or…
Rapid advances in artificial intelligence (AI) in the last decade have largely been built upon the wide applications of deep learning (DL). However, the high carbon footprint yielded by larger and larger DL networks becomes a concern for…
The QCD gluon equation of motion is solved approximately by means of the Green function. This solution is used to reformulate the Lagrangian of QCD such that the gluon propagator appears directly in the interaction terms of the Lagrangian.…