相关论文: Self-energy embedding theory (SEET) for periodic s…

The Bekenstein-Hawking entropy suggests that thermodynamics is an intrinsic ingredient of gravity. Here, we explore the idea that requirements of thermodynamic consistency could determine the gravitational entropy in other set-ups. We…

In the thermodynamic analysis of thermoelectric devices, typical irreversibilities are for the processes of finite-rate heat transfer, heat leak and Joule heating. Approximate analyses often focus on either internal or external…

This paper presents transient numerical simulations of hydraulic systems in engineering applications using the spectral element method (SEM). Along with a detailed description of the underlying numerical method, it is shown that the SEM…

We present a Green's function formulation of the quantum defect embedding theory (QDET) where a double counting scheme is rigorously derived within the $G_0 W_0$ approximation. We then show the robustness of our methodology by applying the…

Given the growing significance of 2D materials in various optoelectronic applications, it is imperative to have simulation tools that can accurately and efficiently describe electron correlation effects in these systems. Here, we show that…

We describe a formulation of the density matrix embedding theory at finite temperature. We present a generalization of the ground-state bath orbital construction that embeds a mean-field finite-temperature density matrix up to a given order…

Atomic hydrogen provides a unique test case for computational electronic structure methods, since its electronic excitation energies are known analytically. With only one electron, hydrogen contains no electronic correlation and is…

This article provides the first mathematical analysis of the Density Matrix Embedding Theory (DMET) method. We prove that, under certain assumptions, (i) the exact ground-state density matrix is a fixed-point of the DMET map for…

The eigenstate thermalization hypothesis (ETH) has been highly influential in explaining thermodynamic behavior of closed quantum systems. As of yet, it is unclear whether and how the ETH applies to non-Hermitian systems. Here, we introduce…

We present the method of the self-consistent calculation of thermodynamical and correlation functions. This approach is based on the GRPA (generalized random phase approximation) scheme with the inclusion of the mean field corrections.…

The eigenstate thermalization hypothesis (ETH) explains how generic quantum many-body systems thermalize internally. It implies that local operators' time-averaged expectation values approximately equal their thermal expectation values,…

Confinement is a paradigmatic phenomenon of gauge theories, and its understanding lies at the forefront of high-energy physics. Here, we study confinement in a simple one-dimensional $\mathbb{Z}_2$ lattice gauge theory at finite temperature…

Theoretical descriptions of the spectrum of electronic excitations in real metals have not yet reached a fully predictive, "first-principles" stage. In this paper we begin by presenting brief highlights of recent progress made in the…

We develop a self-supervised ensemble learning (SSEL) method to accurately classify distinct types of phase transitions by analyzing the fluctuation properties of machine learning outputs. Employing the 2D Potts model and the 2D Clock model…

We design a Mixed Virtual Element Method for the approximated solution to the first-order form of the acoustic wave equation. In absence of external load, the semi-discrete method exactly conserves the system energy. To integrate in time…

We use a two-fluid model combining the quantum Green's function technique for the electrons and a classical HNC description for the ions to calculate the high-density equation of state of hydrogen. This approach allows us to describe fully…

Understanding the evolution towards thermal equilibrium of an isolated quantum system is at the foundation of statistical mechanics and a subject of interest in such diverse areas as cold atom physics or the quantum mechanics of black…

In the present work, we introduce a Self-Consistent Density-Functional Embedding technique, which leaves the realm of standard energy-functional approaches in Density Functional Theory and targets directly the density-to-potential mapping…

Epsilon-near-zero and epsilon near-pole materials enable reflective systems supporting a class of symmetry-protected and accidental embedded eigenstates (EE) characterized by a diverging phase-resonance. Here we show that pairs of…

We investigate the convergence of quasi-particle energies for periodic systems to the thermodynamic limit using increasingly large simulation cells corresponding to increasingly dense integration meshes in reciprocal space. The…