Related papers: A Density-Based Continuous Local Symmetry Measure

Electron localization is the tendency of an electron in a many-body system to exclude other electrons from its vicinity. Using a new natural measure of localization based on the exact manyelectron wavefunction, we find that localization can…

We develop a new unsupervised symmetry learning method that starts with raw data and provides the minimal generator of an underlying Lie group of symmetries, together with a symmetry-equivariant representation of the data, which turns the…

Measuring transport coefficients at the microscale remains challenging, often relying on indirect methods that require modeling and calibration. This Letter derives universal asymptotic forms for the autocorrelation and relative uncertainty…

This work introduces a complexity measure which addresses some conflicting issues between existing ones by using a new principle - measuring the average amount of symmetry broken by an object. It attributes low (although different)…

The exact universal functional of integer charge leads to an extension to fractional charge asymptotically when it is applied to a system made of asymptotically separated densities. The extended functional is asymptotically local and is…

Plastic deformation in metallic glasses at room temperature leads to the development of shear bands due to shear localization. In many experiments, shear bands have shown local density variations along their path, with a distinct imbalance…

We extend density matrix embedding theory to periodic systems, resulting in an electronic band structure method for solid-state materials. The electron correlation can be captured by means of a local impurity model using various choices of…

Continuum electrolyte models represent a practical tool to account for the presence of the diffuse layer at electrochemical interfaces. However, despite the increasing popularity of these in the field of materials science it remains unclear…

Optical chirality density is a measure of the local handedness of electromagnetic fields. Like energy density, it may be absorbed or scattered through the interaction between light and matter. Here, we utilize the conservation of optical…

This work explores the use of joint density-functional theory, a new form of density-functional theory for the ab initio description of electronic systems in thermodynamic equilibrium with a liquid environment, to describe electrochemical…

We present a significantly improved scheme of entanglement detection inspired by local uncertainty relations for a system consisting of two qubits. Developing the underlying idea of local uncertainty relations, namely correlations, we…

We consider the problem of electron transport across a quasi-one-dimensional disordered multiply-scattering medium, and study the statistical properties of the electron density inside the system. In the physical setup that we contemplate,…

Quantitatively accurate electronic structure calculations rely on the proper description of electron correlation. A judicious choice of the approximate quantum chemistry method depends upon the importance of dynamic and nondynamic…

Electron chirality has been proposed as a microscopic quantity that characterizes electronic handedness, yet its underlying control parameter has not been clearly identified. Furthermore, its applicability is limited to systems with…

The problem of electromagnetic scattering by cylinders is an old problem that has been studied in many configurations. The present publication provides a theoretical study on a not yet investigated general case: the set of finite metallic…

The Continuous Spontaneous Localisation (CSL) model solves the measurement problem of standard quantum mechanics, by coupling the mass density of a quantum system to a white-noise field. Since the mass density is not uniquely defined in…

We introduce a local order metric (LOM) that measures the degree of order in the neighborhood of an atomic or molecular site in a condensed medium. The LOM maximizes the overlap between the spatial distribution of sites belonging to that…

We investigate the suitability of the local compressibility chi(z) as a measure of the solvophobicity or hydrophobicity of a substrate. Defining the local compressibility as the derivative of the local one-body density w.r.t. the chemical…

Several data analysis techniques employ similarity relationships between data points to uncover the intrinsic dimension and geometric structure of the underlying data-generating mechanism. In this paper we work under the model assumption…

By performing a critical analysis of the fundamental equations of linear-response (LR) formalism in molecules, we explore the interplay between locality of the response density operator and numerical convergence of LR-related quantities. We…