English
Related papers

Related papers: Local Energy Optimality of Periodic Sets

200 papers

We describe the most recent energy density functional derived within the quark meson coupling model. Although fit to the binding energies and charge radii of just seventy magic nuclei, the accuracy with which it reproduces nuclear…

We investigate the local and global optimality of the triangular, square, simple cubic, face-centred-cubic (FCC), body-centred-cubic (BCC) lattices and the hexagonal-close-packing (HCP) structure for a potential energy per point generated…

Mathematical Physics · Physics 2019-10-23 Laurent Bétermin

First-principles density functional theory (DFT) codes which employ a localized basis offer advantages over those which use plane-wave bases, such as better scaling with system size and better suitability to low-dimensional systems. The…

Materials Science · Physics 2024-11-25 Daniel Bennett , Michele Pizzochero , Javier Junquera , Efthimios Kaxiras

The accurate determination of the preferred ${\rm Si}_{12}{\rm C}_{12}$ isomer is important to guide experimental efforts directed towards synthesizing SiC nano-wires and related polymer structures which are anticipated to be highly…

Given a times series ${\bf Y}$ in $\mathbb{R}^n$, with a piece-wise contant mean and independent components, the twin problems of change-point detection and change-point localization respectively amount to detecting the existence of times…

Statistics Theory · Mathematics 2020-11-17 Nicolas Verzelen , Magalie Fromont , Matthieu Lerasle , Patricia Reynaud-Bouret

We introduce a local machine-learning method for predicting the electron densities of periodic systems. The framework is based on a numerical, atom-centred auxiliary basis, which enables an accurate expansion of the all-electron density in…

Chemical Physics · Physics 2021-11-10 Alan M. Lewis , Andrea Grisafi , Michele Ceriotti , Mariana Rossi

Using the embedded gradient vector field method we explicitly compute the list of critical points of the free energy for a Cosserat body model. We also formulate necessary and sufficient conditions for critical points in the abstract case…

Mathematical Physics · Physics 2020-04-22 Petre Birtea , Ioan Casu , Dan Comanescu

Determination of \emph{optimal} arrangements of $N$ particles on a sphere is a well-known problem in physics. A famous example of such is the Thomson problem of finding equilibrium configurations of electrical charges on a sphere. More…

Computational Physics · Physics 2019-11-06 Wesley J. M. Ridgway , Alexei F. Cheviakov

Let $\Sigma_{g,d}$ an orientable topological surface of genus $g$ with $d$ punctures. When $g = 0$, Deroin and Tholozan studied the class of supra-maximal representations $\pi_1(\Sigma_{0,d})\to \mathrm{PSL}_2(\mathbb{R})$, and they showed…

Algebraic Geometry · Mathematics 2025-04-23 Charlie Wu

In this paper, we introduce the concept of central periodic points of a linear system as points which lies on orbits starting and ending at the central subgroup of the system. We show that this set is bounded if and only if the central…

Dynamical Systems · Mathematics 2020-09-11 Victor Ayala , Adriano Da Silva

We analyse several constructions of random point sets on the sphere $\mathbb{S}^{3}\subset\mathbb{R}^4$ evaluating and comparing them through their discrete logarithmic energy: \begin{equation*} E_0(\omega_N) = \sum_{\substack{i, j=1\\ i…

Probability · Mathematics 2026-02-13 Ujué Etayo , Pablo G. Arce

Exceptional points (EPs) in non-Hermitian systems have recently attracted wide interests and spawned intriguing prospects for enhanced sensing. However, EPs have not yet been realized in thermal atomic ensembles, which is one of the most…

Quantum Physics · Physics 2023-06-30 Chao Liang , Yuanjiang Tang , An-Ning Xu , Yong-Chun Liu

We develop a new theory of maximizing sets in dynamical systems, for the study of ergodic optimization in systems with weak hyperbolicity but where the Ma\~n\'e cohomology lemma does not hold. This leads to new solutions of the Typical…

Dynamical Systems · Mathematics 2026-03-10 Wen Huang , Oliver Jenkinson , Leiye Xu , Yiwei Zhang

We study measures and point configurations optimizing energies based on multivariate potentials. The emphasis is put on potentials defined by geometric characteristics of sets of points, which serve as multi-input generalizations of the…

Classical Analysis and ODEs · Mathematics 2023-03-28 Dmitriy Bilyk , Damir Ferizović , Alexey Glazyrin , Ryan W. Matzke , Josiah Park , Oleksandr Vlasiuk

By partitioning the electron density into subsystem contributions, the Frozen Density Embedding (FDE) formulation of subsystem DFT has recently emerged as a powerful tool for reducing the computational scaling of Kohn--Sham DFT. To date,…

Materials Science · Physics 2015-06-22 Alessandro Genova , Davide Ceresoli , Michele Pavanello

Dissipative hyperbolic systems of \textit{regularity-loss} have been recently received increasing attention. Usually, extra higher regularity is assumed to obtain the optimal decay estimates, in comparison with that for the global-in-time…

Analysis of PDEs · Mathematics 2015-10-30 Jiang Xu , Shuichi Kawashima

We provide a general framework for the optimal design of surface energies on networks. We prove sharp bounds for the homogenization of discrete systems describing mixtures of ferromagnetic interactions by constructing optimal…

Optimization and Control · Mathematics 2016-10-21 Andrea Braides , Leonard Kreutz

Energy techniques can be used to study the structure of fractal sets; the existence of a measure with finite Riesz energy supported on a set gives information about its dimension, distribution, and density. In this paper, we study…

Classical Analysis and ODEs · Mathematics 2026-05-07 Rosemarie Bongers

Given a positive definite kernel in a locally compact space, we study a minimal energy problem in the presence of an external field over the class of all nonnegative Radon measures that are supported by a given closed noncompact set,…

Classical Analysis and ODEs · Mathematics 2010-01-26 Natalia Zorii

Off-diagonal profiles of local densities (e.g. order parameter or energy density) are calculated at the bulk critical point, by conformal methods, for different types of boundary conditions (free, fixed and mixed). Such profiles, which are…

Statistical Mechanics · Physics 2009-10-28 L. Turban , F. Igloi