相关论文: Coordinates, modes and maps for the density functi…

Invertible compositions of one-dimensional maps are studied which are assumed to include maps with non-positive Schwarzian derivative and others whose sum of distortions is bounded. If the assumptions of the Koebe principle hold, we show…

Let $X$ be a complex normed space. Based on the right norm derivative $\rho_{_{+}}$, we define a mapping $\rho_{_{\infty}}$ by \begin{equation*} \rho_{_{\infty}}(x,y) = \frac1\pi\int_0^{2\pi}e^{i\theta}\rho_{_{+}}(x,e^{i\theta}y)d\theta…

We construct biorthogonal polynomials for a measure over the complex plane which consists in the exponential of a potential V(z,z*) and in a set of external sources at the numerator and at the denominator. We use the pseudonorm of these…

This paper revisits the notion of classical orthogonal polynomials from a broader functional-analytic point of view. It is intended neither as a survey of known results nor as a review of the literature, but rather as a conceptual…

The knowledge of a series expansion of the equation of state provides a deep insight into the physical nature of a quantum system. Starting from a generic ``perturbative'' equation of state of a homogeneous ultracold gas we make predictions…

We present the applications of methods from nonlinear local harmonic analysis in variational framework to calculations of nonlinear motions in polynomial/rational approximations (up to any order) of arbitrary n-pole fields. Our approach is…

Imposing Huygens' Principle in a 4D Wightman QFT puts strong constraints on its algebraic and analytic structure. These are best understood in terms of ``biharmonic fields'', whose properties reflect the presence of infinitely many…

We derive inversion formulas involving orthogonal polynomials which can be used to find coefficients of differential equations satisfied by certain generalizations of the classical orthogonal polynomials. As an example we consider special…

The density functional scheme for calculating the pair density is presented by means of the constrained-search technique. The resultant single-particle equation takes the form of the modified Hartree-Fock equation which contains the kinetic…

The radial polynomials of the 2D (circular) and 3D (spherical) Zernike functions are tabulated as powers of the radial distance. The reciprocal tabulation of powers of the radial distance in series of radial polynomials is also given, based…

Time-dependent density functional theory is extended to include dissipative systems evolving under a master equation, providing a Hamiltonian treatment for molecular electronics. For weak electric fields, the isothermal conductivity is…

A scheme within density functional theory is proposed that provides a practical way to generalize to unrestricted geometries the method applied with some success to layered geometries [H. Rydberg, et al., Phys. Rev. Lett. 91, 126402…

We enhance the approximation capabilities of algebraic polynomials by composing them with homeomorphisms. This composition yields families of functions that remain dense in the space of continuous functions, while enabling more accurate…

We introduce an algorithm of joint approximation of a function and its first derivative by alternative orthogonal polynomials on the interval [0,1].The algorithm exhibits properties of shape preserving approximation for the function. A weak…

In previous works [physics/0204035, physics/0404052, physics/0509126] a procedure was described for dividing the $3 \times N$-dimensional conformational space of a molecular system into a number of discrete cells, this partition allowed the…

We proposed in Ref. [arXiv:1812.09285v2] a way to improve energy density functionals in the density functional theory based on the combination of the inverse Kohn-Sham method and the density functional perturbation theory. In this…

A new method ( PI-DFT ) which combines path integrals and density functional theory is proposed as a pathway to many fields of physics. Within path integral theory it is possible to construct particle densities without explicitly…

A set of bi-orthogonal potential-density basis functions is introduced to model the density and its associated gravitational field of three dimensional stellar systems. Radial components of our basis functions are weighted integral forms of…

We consider polynomials of a few linear forms and show how exploit this type of sparsity for optimization on some particular domains like the Euclidean sphere or a polytope. Moreover, a simple procedure allows to detect this form of…

We provide a robust and general algorithm for computing distribution functions associated to induced orthogonal polynomial measures. We leverage several tools for orthogonal polynomials to provide a spectrally-accurate method for a broad…