Related papers: Local Energy Optimality of Periodic Sets

We study energy minimization for pair potentials among periodic sets in Euclidean spaces. We derive some sufficient conditions under which a point lattice locally minimizes the energy associated to a large class of potential functions. This…

We introduce a parameter space for periodic point sets, given as unions of $m$ translates of point lattices. In it we investigate the behavior of the sphere packing density function and derive sufficient conditions for local optimality.…

In this paper we study the geometric location of periodic points of power series defined over fields of prime characteristic $p$. More specifically, we find a lower bound for the absolute value of all periodic points in the open unit disk…

For rational numbers $c$, we present a trichotomy of the set of totally real (totally $p$-adic, respectively) preperiodic points for maps in the quadratic unicritical family $f_c(x)=x^2+c$. As a consequence, we classify quadratic…

We investigate the nonlocal energy corresponding to the $p$-oscillation of the unit normal vector for hypersurfaces, or the unit tangent vector for curves. The energy satisfies geometric inequalities with optimal constants $c(n,p)$ and…

Let $f_c(x) = 1 - cx^2$ be a one-parameter family of real continuous maps with parameter $c \ge 0$. For every positive integer $n$, let $N_n$ denote the number of parameters $c$ such that the point $x = 0$ is a (superstable) periodic point…

We study the local optimality of Simple Cubic, Body-Centred-Cubic and Face-Centred-Cubic lattices among Bravais lattices of fixed density for some finite energy per point. Following the work of Ennola [Math. Proc. Cambridge, 60:855--875,…

We perform a detailed study of a simple mathematical model addressing the problem of optimally regulating a process subject to periodic external forcing, which is interesting both in view of its direct applications and as a prototype for…

We study the isoperimetric problem with a potential energy $g$ in $\mathbb{R}^n$ weighted by a radial density $f$ and analyze the geometric properties of minimizers. Notably, we construct two counterexamples demonstrating that, in contrast…

We consider periodic energy problems in Euclidean space with a special emphasis on long-range potentials that cannot be defined through the usual infinite sum. One of our main results builds on more recent developments of Ewald summation to…

We study rational periodic points of polynomial $f_{d,c}(x)=x^d+c$ over the field of rational numbers, where $d$ is an integer greater than 2. For period 2, we classify all possible periodic points for degrees $d=4,6$. We also demonstrate…

Consider a system governed by the time-dependent Schr\"odinger equation in its ground state. When subjected to weak (size $\epsilon$) parametric forcing by an "ionizing field" (time-varying), the state decays with advancing time due to…

We have optimized the exponents of Gaussian s and p basis functions for the elements H, B-F, and Al-Cl using the pseudopotentials of Goedecker, Teter, and Hutter [Phys. Rev. B 54, 1703 (1996)] by minimizing the total energy of dimers. We…

We present a fully variational locally scaled self-interaction corrected (SIC) energy functional using complex optimal orbitals. This represents an important milestone for fully variational SIC energy functionals, which have been shown to…

We develop a technique for generating a set of optimized local basis functions to solve models in the Kohn-Sham density functional theory for both insulating and metallic systems. The optimized local basis functions are obtained by solving…

Since in periodic systems, a given element may be present in different spatial arrangements displaying vastly different physical and chemical properties, an elemental basis set that is independent of physical properties of materials may…

We study finite-difference approximations of both Poisson and Poisson-Boltzmann (PB) electrostatic energy functionals for periodic structures constrained by Gauss' law and a class of local algorithms for minimizing the finite-difference…

Local electronic-structure methods in quantum chemistry operate on the ability to compress electron correlations more efficiently in a basis of spatially localized molecular orbitals than in a parent set of canonical orbitals. However, many…

We derive and investigate lower bounds for the potential energy of finite spherical point sets (spherical codes). Our bounds are optimal in the following sense -- they cannot be improved by employing polynomials of the same or lower degrees…

We present a detailed study on the properties of the free energy density at the high temperature by applying the principle of maximum conformality (PMC) scale-setting method within the effective field theory. The PMC utilizes the…