相关论文: Studies on optimizing potential energy functions f…

In this note we study the entropy spectrum of rotation classes for collections of finitely many continuous potentials $\varphi_1,\dots,\varphi_m:X\to \mathbb{R}$ with respect to the set of invariant measures of an underlying dynamical…

An iterative optimization approach that simultaneously minimizes the energy and optimizes the Lagrange multipliers enforcing desired constraints is presented. The method is tested on previously established benchmark systems and it is proved…

A simple methodology is suggested for the efficient calculation of certain central potentials having singularities. The generalized pseudospectral method used in this work facilitates {\em nonuniform} and optimal spatial discretization.…

In this thesis I explore challenging discrete energy minimization problems that arise mainly in the context of computer vision tasks. This work motivates the use of such "hard-to-optimize" non-submodular functionals, and proposes methods…

We present an alternative formalism for calculating the maximally localized Wannier functions in crystalline solids, obtaining an expression which is extremely simple and general. In particular, our scheme is exactly invariant under…

Implicit and explicit density functionals for the exchange energy in finite two-dimensional systems are developed following the approach of Becke and Roussel [Phys. Rev. A 39, 3761 (1989)]. Excellent agreement for the exchange-hole…

This paper investigates a function of macroscopic variables known as the singular potential, building on previous work by Ball and Majumdar. The singular potential is a function of the admissible statistical averages of probability…

By means of a suitable rational approximation to the logarithmic derivative of the wavefunction we obtain tight upper and lower bounds to the eigenvalues and critical parameters of the quartic double-well potential.

We calculate effective potentials in scalar field theories on the maximally supersymmetric pp-wave background in ten dimensions. For this purpose we have to work in the light-cone formulation, and hence we introduce two methods to compute…

We theoretically investigate the optical force exerted on an isotropic particle illuminated by a superposition of plane waves. We derive explicit analytical expressions for the exerted force up to quadrupolar polarizabilities. Based on…

Wave functions and electron potentials of laterally-confined surface states are determined experimentally by means of photoemission from stepped Au(111) surfaces. Using an iterative formalism borrowed from x-ray diffraction, we retrieve the…

The notion of the optimized perturbation, which has been successfully applied to energy eigenvalues, is generalized to treat wave functions of quantum systems. The key ingredient is to construct an envelope of a set of perturbative wave…

Density functional theory is usually formulated in terms of the density in configuration space. Functionals of the momentum-space density have also been studied, and yet other densities could be considered. We offer a unified view from a…

We consider a superintegrable Hamiltonian system in a two-dimensional space with a scalar potential that allows one quadratic and one cubic integral of motion. We construct the most general cubic algebra and we present specific…

We calculate ground-state energies and densities of a helium atom confined in an impenetrable spherical box within density functional theory. These calculations are performed by variationally solving Kohn-Sham equation with the ground-state…

The shift of atomic energy levels due to hadronic vacuum polarization is evaluated in a semiempirical way for hydrogenlike ions and for muonic hydrogen. A parametric hadronic polarization function obtained from experimental cross sections…

This paper studies optimal linear power control for battery-limited energy harvesting communications. It provides a systematic analysis of linear power control policies, covering the greedy and fixed-fraction policies as special cases.…

The capacitance of an arbitrarily shaped object is calculated with the same second-kind integral equation method used for computing static and dynamic polarizabilities. The capacitance is simply the dielectric permittivity multiplied by the…

Motivated by the increasing need to hedge against load and generation uncertainty in the operation of power grids, we propose flexibility maximization during operation. We consider flexibility explicitly as the amount of uncertainty that…

Finite temperature density functional theory requires representations for the internal energy, entropy, and free energy as functionals of the local density field. A central formal difficulty for an orbital-free representation is…