相关论文: Clifford boundary conditions: a simple direct-sum …
In this work we demonstrate the robustness of a real-space approach for the treatment of infinite systems described with periodic boundary conditions that we have recently proposed [J. Phys. Chem. Lett. 17, 7090]. In our approach we extract…
A direct summation method for the Madelung constant calculation is presented where a crystal lattice is constructed from linear arrays of charges or axial multipoles. An array is designed to have vanishing low order electric moments such…
The Coulomb potential at an interior ion in a finite crystal of size $p$ is given by a linear superposition of contributions from displacement vectors ${\mathbf r}=(x,y,z)$ to its neighbors. This additive structure underlies universal…
An efficient real space method is derived for the evaluation of the Madelung's potential of ionic crystals. The proposed method is an extension of the Evjen's method. It takes advantage of a general analysis for the potential convergence in…
A new method of computing the Madelung constants for hypercubic crystal structures in any dimension $n\geq 2$ is given. It is shown for $n\geq 3$ that the Madelung constant may be obtained in a simple, efficient and unambiguous way as the…
In its original version, the Thomson problem consists of the search for the minimum-energy configuration of a set of point-like electrons that are confined to the surface of a two-dimensional sphere (${\cal S}^2$) that repel each other…
For deterministic monotone cellular automata on the $d$-dimensional integer lattice, Toom (1980) has given necessary and sufficient conditions for the all-one fixed point to be stable against small random perturbations. We are interested in…
We consider the reconstruction of a function on a finite subset of $\mathbb{Z}^2$ if the line sums in certain directions are prescribed. The real solutions form a linear manifold, its integer solutions a grid. First we provide an explicit…
An efficient real space method is derived for the evaluation of the Madelung's potential of ionic crystals. The proposed method is an extension of the Evjen's method. It takes advantage of a general analysis for the potential convergence in…
When minimizing the sum of a convex and a strongly convex function, or when finding the zero of the sum of a monotone operator and a strongly monotone operator, Chambolle and Pock (2010) and Davis and Yin (2015) proposed accelerated…
This work presents a new constructive uniqueness proof for Calder\'on's inverse problem of electrical impedance tomography, subject to local Cauchy data, for a large class of piecewise constant conductivities that we call "piecewise…
We present a rigorous Ewald summation formula to evaluate the electrostatic interactions in two-dimensionally periodic planar interfaces of three-dimensional systems. By rewriting the Fourier part of the summation formula of the original…
A new series representation of the Madelung constant is given. We represent Madelung constant as a sum of an exact term plus an exponentially fast converging series. The remarkable result is that even if the series part is discarded, one…
A general formula is obtained from which the madelung type constant: $$ C(d|\nu)=\int_0^\infty dx x^{d/2-\nu-1}[(\sum_{l=-\infty}^\infty e^{-xl^2})^d-1-(\frac\pi x)^{d/2}] $$ extensively used in the finite-size scaling theory is computed…
In this work, we propose a new algorithm for finding a zero in the sum of two monotone operators where one is assumed to be single-valued and Lipschitz continuous. This algorithm naturally arises from a non-standard discretization of a…
We introduce the Clifford entropy, a measure of how close an arbitrary unitary is to a Clifford unitary, which generalizes the stabilizer entropy for states. We show that this quantity vanishes if and only if a unitary is Clifford, is…
We consider the geometry relaxation of an isolated point defect embedded in a homogeneous crystalline solid, within an atomistic description. We prove a sharp convergence rate for a periodic supercell approximation with respect to uniform…
Every finite-dimensional unitary representation of the N-extended worldline supersymmetry without central charges may be obtained by a sequence of differential transformations from a direct sum of minimal Adinkras, simple supermultiplets…
This short note considerably simplifies a reconstruction method by the author (Comm. PDE, 45(9):1118--1133, 2020), for reconstructing piecewise constant layered conductivities (PCLC) from partial boundary measurements in electrical…
The Douglas-Rachford algorithm is a classical and powerful splitting method for minimizing the sum of two convex functions and, more generally, finding a zero of the sum of two maximally monotone operators. Although this algorithm is well…