Related papers: Testing self-energy embedding theory in combinatio…
We present an accurate approach to compute X-ray photoelectron spectra based on the $GW$ Green's function method, that overcomes shortcomings of common density functional theory approaches. $GW$ has become a popular tool to compute valence…
Electromagnetic (EM) scattering systems widely exist in EM engineering domain. For a certain objective scattering system, all of its working modes constitute a linear space, i.e. modal space. Characteristic mode theory (CMT) can effectively…
We present an approach for self-consistent calculations of the many-body Green function in transition metals. The distinguishing feature of our approach is the use of the one-site approximation and the self-consistent quasiparticle wave…
Quantum embedding schemes have the potential to significantly reduce the computational cost of first principles calculations, whilst maintaining accuracy, particularly for calculations of electronic excitations in complex systems. In this…
We apply the renormalized singles with correlation (RSc) Green's function in the $GW$ approximation to calculate accurate quasiparticle (QP) energies and orbitals. The RSc Green's function includes all orders of singles contributions from…
Our understanding of emission from a collection of emitters strongly interacting among them and also with other polarizable matter in proximity has been approximated by independent emission from the emitters. This is primarily due to our…
The recent direct observation of gravitational waves (GW) from merging black holes opens up the possibility of exploring the theory of gravity in the strong regime at an unprecedented level. It is therefore interesting to explore which…
We propose a novel Skew Gradient Embedding (SGE) framework for systematically reformulating thermodynamically consistent partial differential equation (PDE) models-capturing both reversible and irreversible processes-as generalized gradient…
We propose a new approach to the self-consistency equation, which arises in the problem of the motion of a hole in a quantum antiferromagnet, appropriate to the case of small exchange energy $J$. The functional equation for the Green…
We present an approach to calculate the optical absorption spectra that combines the quasiparticle self-consistent GW method [Phys. Rev. B, 76 165106 (2007)] for the electronic structure with the solution of the ladder approximation to the…
Effective Field Theories (EFTs) capture effects from heavy dynamics at low energy and represent an essential ingredient in the context of Standard Model (SM) precision tests. This document gathers a number of relevant scenarios for heavy…
The cumulant expansion of the Green's function is a computationally efficient beyond-$GW$ approach renowned for its significant enhancement of satellite features in materials. In contrast to the ubiquitous $GW$ approximation of many-body…
Self-supervised learning is a popular and powerful method for utilizing large amounts of unlabeled data, for which a wide variety of training objectives have been proposed in the literature. In this study, we perform a Bayesian analysis of…
A new reference state for density functional theory, termed the independent atom ansatz, is introduced in this work. This ansatz allows for the exact representation of electron density in terms of non-interacting, atom-localized orbitals.…
Quantum embedding methods enable the study of large, strongly correlated quantum systems by (usually self-consistent) decomposition into computationally manageable subproblems, in the spirit of divide-and-conquer methods. Among these,…
Sentence embedding is an important research topic in natural language processing (NLP) since it can transfer knowledge to downstream tasks. Meanwhile, a contextualized word representation, called BERT, achieves the state-of-the-art…
The Software Engineering (SE) community is prolific, making it challenging for experts to keep up with the flood of new papers and for neophytes to enter the field. Therefore, we posit that the community may benefit from a tool extracting…
We report a successful combination of magnetic force linear response theory with quasiparticle self-consistent GW method. The self-consistently determined wavefunctions and eigenvalues can just be used for the conventional magnetic force…
We present a rigorous framework that combines single-particle Green's function theory with density functional theory based on a separation of electron-electron interactions into short-range and long-range components. Short-range…
We introduce a quantum dot orbital tight-binding non-equilibrium Green's function approach for the simulation of novel solar cell devices where both absorption and conduction are mediated by quantum dot states. By the use of basis states…