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In this short paper, the authors report a new computational approach in the context of Density Functional Theory (DFT). It is shown how it is possible to speed up the self-consistent cycle (iteration) characterizing one of the most…

Computational Physics · Physics 2015-05-19 Edoardo Di Napoli , Paolo Bientinesi

A fully abstract and universal domain model for modal transition systems and refinement is shown to be a maximal-points space model for the bisimulation quotient of labelled transition systems over a finite set of events. In this domain…

Logic in Computer Science · Computer Science 2017-01-11 Michael Huth

The stationary functional of the all-electron density functional plus dynamical mean field theory (DFT+DMFT) formalism to perform free energy calculations and structural relaxations is implemented for the first time. Here, the first order…

Strongly Correlated Electrons · Physics 2015-12-23 Kristjan Haule , Turan Birol

We extend some results on piecewise linear functions on $\C^n$ to piecewise pluriharmonic functions on any complex manifold. We construct a ring generated by currents $h$ and $dd^ch$, where $\{h\}$ is a finite set of piecewise pluriharmonic…

Complex Variables · Mathematics 2012-07-17 Boris Kazarnovskii

We introduce and study a $d$-dimensional generalization of Hamiltonian cycles in graphs - the Hamiltonian $d$-cycles in $K_n^d$ (the complete simplicial $d$-complex over a vertex set of size $n$). Those are the simple $d$-cycles of a…

Combinatorics · Mathematics 2019-07-19 Rogers Mathew , Ilan Newman , Yuri Rabinovich , Deepak Rajendraprasad

Constrained density functional theory (cDFT) is a versatile electronic structure method that enables ground-state calculations to be performed subject to physical constraints. It thereby broadens their applicability and utility. Automated…

Other Condensed Matter · Physics 2016-08-03 David D. O'Regan , Gilberto Teobaldi

We investigate the delocalization transition appearing in an exclusion process with two internal states resp. on two parallel lanes. At the transition, delocalized domain walls form in the density profiles of both internal states, in…

Statistical Mechanics · Physics 2008-08-31 Tobias Reichenbach , Thomas Franosch , Erwin Frey

Let P be a closed triangulated manifold, dim P=n. We consider the group of simplicial 1-chains C_1(P) and the homology group H_1(P). We also use some nonnegative weighting function L on C_1(P). For any homological class from H_1(P) method…

Algebraic Topology · Mathematics 2007-05-23 A. V. Lapteva , E. I. Yakovlev

Let $D^2 \subset C$ be a closed two-dimensional disk and $f:D^2 \to R$ be a continuous function such that a restriction of $f$ to $\partial D^2$ is a continuous function with a finite number of local extrema and $f$ has a finite number of…

General Topology · Mathematics 2009-10-20 Yevgen Polulyakh , Iryna Yurchuk

In dynamical systems governed by differential equations, a guarantee that trajectories emanating from a given set of initial conditions do not enter another given set can be obtained by constructing a barrier function that satisfies certain…

Chaotic Dynamics · Physics 2022-05-26 Jeremy P Parker , David Goluskin , Geoffrey M Vasil

Past models of stress-strain response under cyclic loading mainly rely on macroscopic equations which consider microstructure evolution indirectly or simply discard microstructure information. Modern materials science, on the other hand,…

Materials Science · Physics 2018-08-31 Ronghai Wu , Michael Zaiser

Directed topology is a refinement of standard topology, where spaces may have non-reversible paths. It has been put forward as a candidate approach to the analysis of concurrent processes. Recently, a wealth of different frameworks for,…

General Topology · Mathematics 2012-12-06 André Hirschowitz , Michel Hirschowitz , Tom Hirschowitz

The main challenge in computing inclusive cross sections and decay spectra in QCD is posed by kinematic thresholds. The threshold region is characterized by stringent phase-space constraints that are reflected in large perturbative…

High Energy Physics - Phenomenology · Physics 2008-11-26 Einan Gardi

This paper is a comprehensive introduction to the results of [7]. It grew as an expanded version of a talk given at INdAM Meeting Complex and Symplectic Geometry, held at Cortona in June 12-18, 2016. It deals with the construction of the…

Complex Variables · Mathematics 2017-04-25 Laurent Meersseman

The aim of these notes is to discuss the completeness of the dilated systems in a most general framework of an arbitrary sequence lattice $X$, including weighted $\ell^p$ spaces. In particular, general multiplicative and completely…

Functional Analysis · Mathematics 2025-11-25 Nikolai Nikolski

We employ a procedure that enables us to calculate the excess free energies for a finite Ising cylinder with domain walls analytically. This procedure transparently covers all possible configurations of the domain walls under given boundary…

Statistical Mechanics · Physics 2025-06-23 Alessio Squarcini , Piotr Nowakowski , Douglas B. Abraham , Anna Maciołek

This paper introduces a novel framework for constructing $C^r$ basis functions for polynomial spline spaces of degree $d$ over arbitrary planar polygonal partitions, overturning the belief that basis functions cannot be constructed on…

Numerical Analysis · Mathematics 2025-09-03 Bingru Huang

A {\em spanning configuration} in the complex vector space $\mathbb{C}^k$ is a sequence $(W_1, \dots, W_r)$ of linear subspaces of $\mathbb{C}^k$ such that $W_1 + \cdots + W_r = \mathbb{C}^k$. We present the integral cohomology of the…

Combinatorics · Mathematics 2024-05-28 Brendon Rhoades

We derive a compact expression for the three-point MHV form factors of half-BPS operators in N=4 super Yang-Mills at two loops. The main tools of our calculation are generalised unitarity applied at the form factor level, and the compact…

High Energy Physics - Theory · Physics 2015-06-03 Andreas Brandhuber , Gabriele Travaglini , Gang Yang

In this paper we extend previous work of Galleas and the author to elliptic SOS models. We demonstrate that the dynamical reflection algebra can be exploited to obtain a functional equation characterizing the partition function of an…

Mathematical Physics · Physics 2015-11-24 J. Lamers