Related papers: Convergence analysis of approximation formulas for…
Approximate theories for the restricted primitive model electrolyte are compared in the light of Totsuji's lower bound for the energy (an improvement over Onsager's), Gillan's upper bound for the free energy, and thermal stability…
We introduce the semiclassical limit to electronic systems by taking the limit $\hbar\rightarrow 0$ in the solution of Schr\"odinger equations. We show that this limit is closely related to one type of strong correlation that is…
All-electron calculations play an important role in density functional theory, in which improving computational efficiency is one of the most needed and challenging tasks. In the model formulations, both nonlinear eigenvalue problem and…
Three-point semidefinite programming bounds are one of the most powerful known tools for bounding the size of spherical codes. In this paper, we use them to prove lower bounds for the potential energy of particles interacting via a pair…
Let P be a linear, second order, elliptic operator satisfying a Hardy inequality with potential W (i.e. $P-W\geq0$) and best constant $\alpha$. We give conditions so that the spectrum of $W^{-1}P$ is $[\alpha,\infty)$. We apply this to…
We introduce a numerical method for the approximation of functions which are analytic on compact intervals, except at the endpoints. This method is based on variable transforms using particular parametrized exponential and…
We study the approximate analytical solutions of the Dirac equation for the generalized Woods-Saxon potential with the pseudo-centrifugal term. In the framework of the spin and pseudospin symmetry concept, the approximately analytical bound…
In this paper, we show a weighted Hardy inequality in a limiting case for functions in weighted Sobolev spaces with respect to an invariant measure. We also prove that the constant in the left-hand side of the inequality is optimal. As…
We consider the problem of maximizing non-negative non-decreasing set functions. Although most of the recent work focus on exploiting submodularity, it turns out that several objectives we encounter in practice are not submodular.…
Greedy algorithms which use only function evaluations are applied to convex optimization in a general Banach space $X$. Along with algorithms that use exact evaluations, algorithms with approximate evaluations are treated. A priori upper…
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 propose the use of two point Pade approximants to find expressions valid uniformly in coupling constant for theories with both weak and strong coupling expansions. In particular, one can use these approximants in models with a…
We propose a duality theory for multi-marginal repulsive cost that appear in optimal transport problems arising in Density Functional Theory. The related optimization problems involve probabilities on the entire space and, as minimizing…
We first study subextensions of m-subharmonic functions in weighted energy classes with given boundary values. The results are used to approximate an m-subharmonic function in weighted energy classes with given boundary values by an…
This work concerns the global minimization of a prescribed eigenvalue or a weighted sum of prescribed eigenvalues of a Hermitian matrix-valued function depending on its parameters analytically in a box. We describe how the analytical…
A problem of the erroneous duality gap caused by the presence of symmetries is solved in this paper utilizing point group theory. The optimization problems are first divided into two classes based on their predisposition to suffer from this…
The paper presents analytic expressions of minimax (worst-case) estimates for solutions of linear abstract Neumann problems in Hilbert space with uncertain (not necessarily bounded!) inputs and boundary conditions given incomplete…
The main purpose of this paper is to compare the convergence properties of Pad\'e approximants and rational Hermite-Pad\'e approximants for some model class of multivalued analytic functions based of the inverse Zhoukovsky transform. We…
We prove some sharp Hardy type inequalities related to the Dirac operator by elementary, direct methods. Some of these inequalities have been obtained previously using spectral information about the Dirac-Coulomb operator. Our results are…
We consider interior penalty discontinuous Galerkin discretizations of time-harmonic wave propagation problems modeled by the Helmholtz equation, and derive novel a priori and a posteriori estimates. Our analysis classically relies on…