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We implemented various DFT+U schemes, including the ACBN0 self-consistent density-functional version of the DFT+U method [Phys. Rev. X 5, 011006 (2015)] within the massively parallel real-space time-dependent density functional theory…

强关联电子 · 物理学 2017-12-27 Nicolas Tancogne-Dejean , Micael J. T. Oliveira , Angel Rubio

In this paper, we investigate the fractal uncertainty principle (FUP) for discrete Cantor sets, which are determined by an alphabet from a base of digits. Consider the base of M digits and the alphabets of cardinality A such that all the…

经典分析与常微分方程 · 数学 2021-07-20 Suresh Eswarathasan , Xiaolong Han

The paper continues the intriguing theme that many key facts of (single-variable) Real Analysis are not only crucially dependent on the completeness of the real numbers, but are actually equivalent to it. The list of these characterizations…

经典分析与常微分方程 · 数学 2015-07-15 Michael Deveau , Holger Teismann

The density functional theory (DFT) is used in a study of point defects on both UN (001) surface and sub-surface layers. We compare results for slabs of different thicknesses (both perfect and containing nitrogen or uranium vacancies) with…

材料科学 · 物理学 2012-11-27 Dmitry Bocharov , Denis Gryaznov , Yuri F. Zhukovskii , Eugene A. Kotomin

We present a real-space formulation and higher-order finite-difference implementation of periodic Orbital-free Density Functional Theory (OF-DFT). Specifically, utilizing a local reformulation of the electrostatic and kernel terms, we…

计算物理 · 物理学 2015-12-23 Swarnava Ghosh , Phanish Suryanarayana

Classical density functional theory for finite temperatures is usually formulated in the grand-canonical ensemble where arbitrary variations of the local density are possible. However, in many cases the systems of interest are closed with…

统计力学 · 物理学 2022-04-06 James F. Lutsko

In this paper we consider Kakutani's extension of the Brouwer fixed point theorem within the framework of Bishop's constructive mathematics. Kakutani's fixed point theorem is classically equivalent to Brouwer's fixed point theorem. The…

逻辑 · 数学 2016-11-09 Matthew Hendtlass

This work proposes a unified theory of regularity in one hypercomplex variable: the theory of $T$-regular functions. In the special case of quaternion-valued functions of one quaternionic variable, this unified theory comprises…

复变函数 · 数学 2026-04-10 Riccardo Ghiloni , Caterina Stoppato

We present a fixed point theorem for a class of (potentially) non-monotonic functions over specially structured complete lattices. The theorem has as a special case the Knaster-Tarski fixed point theorem when restricted to the case of…

计算机科学中的逻辑 · 计算机科学 2015-02-10 Zoltán Ésik , Panos Rondogiannis

The classical Brouwer fixed point theorem states that in R^d every continuous function from a convex, compact set on itself has a fixed point. For an arbitrary probability space, let L^0 = L^0 (\Omega, A,P) be the set of random variables.…

泛函分析 · 数学 2013-09-13 Samuel Drapeau , Martin Karliczek , Michael Kupper , Martin Streckfuß

Absolute continuity implies uniform continuity, but generally not vice versa. In this short note, we present one sufficient condition for a uniformly continuous function to be absolutely continuous, which is the following theorem: For a…

经典分析与常微分方程 · 数学 2015-03-17 Kai Yang , Chenhong Zhu

The cornerstone of time-dependent (TD) density functional theory (DFT), the Runge-Gross theorem, proves a one-to-one correspondence between TD potentials and TD densities of continuum Hamiltonians. In all practical implementations, however,…

介观与纳米尺度物理 · 物理学 2015-05-20 S. Kurth , G. Stefanucci

Hadwiger's Theorem states that Euclidean-invariant convex-continuous valuations of definable sets are linear combinations of intrinsic volumes. We lift this result from sets to data distributions over sets, specifically, to definable…

微分几何 · 数学 2013-07-02 Yuliy Baryshnikov , Robert Ghrist , Matthew Wright

We consider contractive operators $T$ that are trace class perturbations of a unitary operator $U$. We prove that the dimension functions of the absolutely continuous spectrum of $T$, $T^*$ and of $U$ coincide. In particular, if $U$ has a…

泛函分析 · 数学 2022-05-20 Sergei Treil , Constanze Liaw

An approach to a Unified Field Theory (UFT) is developed as an attempt to establish unification of the Theory of Quantum Fields (QFT) and General Theory of Relativity (GTR) on the background of a covariant differential calculus. A dual…

综合物理 · 物理学 2015-08-13 Yaroslav Derbenev

Let $U$ be an open set in $\mathbb{R}^d$. A continuous function $f\colon U \to \mathbb{R}$ is strongly nowhere differentiable if and only if for each $\gamma\in(0,1]$ and for each unit speed $C^{1,\gamma}$ curve $c\colon [a,b] \to U$, the…

经典分析与常微分方程 · 数学 2025-10-16 Maria Girardi , Ralph Howard

In a type-theoretic fibration category in the sense of Shulman (representing a dependent type theory with at least 1, Sigma, Pi, and identity types), we define the type of constant functions from A to B. This involves an infinite tower of…

逻辑 · 数学 2015-10-23 Nicolai Kraus

Motivated by an influential result of Bourgain and Tzafriri, we consider continuous matrix functions $A:\mathbb{R}\to M_{n\times n}$ and lower $\ell_2$-norm bounds associated with their restriction to certain subspaces. We prove that for…

We investigate a density-functional theory (DFT) approach for an unpolarized trapped dilute Fermi gas in the unitary limit . A reformulation of the recent work of T. Papenbrock [Phys. Rev. A, {\bf 72}, 041602(R) (2005)] in the language of…

其他凝聚态物理 · 物理学 2009-11-11 Brandon P. van Zyl , D. A. W. Hutchinson , Melodie Need

The coefficient $C_T$ of the conformal energy-momentum tensor two-point function is determined for the non-unitary scalar CFTs with four- and six-derivative kinetic terms. The results match those expected from large-$N$ calculations for the…

高能物理 - 理论 · 物理学 2016-06-29 Hugh Osborn , Andreas Stergiou