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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…

Strongly Correlated Electrons · Physics 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…

Classical Analysis and ODEs · Mathematics 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…

Classical Analysis and ODEs · Mathematics 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…

Materials Science · Physics 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…

Computational Physics · Physics 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…

Statistical Mechanics · Physics 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…

Logic · Mathematics 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…

Complex Variables · Mathematics 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…

Logic in Computer Science · Computer Science 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.…

Functional Analysis · Mathematics 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…

Classical Analysis and ODEs · Mathematics 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,…

Mesoscale and Nanoscale Physics · Physics 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…

Differential Geometry · Mathematics 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…

Functional Analysis · Mathematics 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…

General Physics · Physics 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…

Classical Analysis and ODEs · Mathematics 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…

Logic · Mathematics 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…

Functional Analysis · Mathematics 2022-01-14 Adrian Fan , Jack Montemurro , Pavlos Motakis , Naina Praveen , Alyssa Rusonik , Paul Skoufranis , Noam Tobin

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…

Other Condensed Matter · Physics 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…

High Energy Physics - Theory · Physics 2016-06-29 Hugh Osborn , Andreas Stergiou