Related papers: Energy approximation for some double phase functio…
In this manuscript we provide a family of lower bounds on the indirect Coulomb energy for atomic and molecular systems in two dimensions in terms of a functional of the single particle density with gradient correction terms.
A summary is presented of the properties of the coefficient matrices formed by expanding the two-body reduced density matrix in a complete set of two-electron wave functions. Calculating the relationship between the many electron wave…
We propose a formalism to take account of the correction of the spatial fluctuations to the local self-energy obtained by the dynamical mean-field approximation. For this purpose, the approximate dynamical susceptibility in the framework of…
We introduce a spectral density functional theory which can be used to compute energetics and spectra of real strongly--correlated materials using methods, algorithms and computer programs of the electronic structure theory of solids. The…
In this paper we look at a class of random optimization problems that arise in the forms typically known as Hopfield models. We view two scenarios which we term as the positive Hopfield form and the negative Hopfield form. For both of these…
Analytic approximations to the ground-state energy of closed-shell quantum dots (number of electrons from 2 to 210) are presented in the form of two-point Pade approximants. These Pade approximants are constructed from the small- and…
This letter is about effective approximation for a stochastic parabolic equation with a large potential in a periodic medium. Under a condition on the spectral properties of the associated cell problem, we prove that the solution can be…
This work reconsiders the Becker-Doering model for nucleation under isothermal conditions in the presence of phase transitions. Based on thermodynamic principles a modified model is derived where the condensation and evaporation rates may…
We study the resonances of a two-by-two semiclassical system of one dimensional Schr\"odinger operators, near an energy where the two potentials intersect transversally, one of them being bonding, and the other one anti-bonding. Under an…
Two forms of relativistic density functional are derived from Dirac equation. Based on their structure analysis model of split electron is proposed. In this model electric charge and mass of electron behave like two point-like particles. It…
We present some recent results on the motion of test bodies with internal structure in General Relativity. On the basis of a multipolar approximation scheme, we study the motion of extended test bodies endowed with an explicit model for the…
New method for ab initio calculations of the properties of large size system based on phase-amplitude functional is presented. It is shown that Schrodinger equation for many electrons complex system including large size molecules, or…
We make use of a recently developed method to, not only obtain the exactly known eigenstates and eigenvalues of a number of quasi-exactly solvable Hamiltonians, but also construct a convergent approximation scheme for locating those levels,…
Exact conditions have long been used to guide the construction of density functional approximations. But hundreds of empirical-based approximations tailored for chemistry are in use, many of which neglect these conditions in their design.…
This article gives an energy decay result for small data solutions to a class of semilinear wave equations in two space dimensions possessing weakly dissipative structure relevant to the Agemi condition.
We report an ab initio evaluation of the surface energy of a simple metal, performed via a coupling-constant integration over the dynamical density-response function. The rapid rate of change of the electron density at the surface is…
We present a calculation of the spectral properties of a single charge doped at a Cu($3d$) site of the Cu-F plane in KCuF$_{3}$. The problem is treated by generating the equations of motion for the Green's function by means of subsequent…
Electron-electron correlation forms the basis of difficulties encountered in many-body problems. Accurate treatment of the correlation problem is likely to unravel some nice physical properties of matter embedded in this correlation. In an…
Density functional calculations can fail for want of an accurate exchange-correlation approximation. The energy can instead be extracted from a sequence of density functional calculations of conditional probabilities (CP-DFT). Simple CP…
Two approximate formulae are given for the binding energies in Lambda-hypernuclei and light nuclei by means of the (reduced) Poeschl-Teller and the Gaussian central potentials. Those easily programmable formulae combine the eigenvalues of…