Related papers: Inequalities for exchange Slater integrals
We treat the local exchange parameter, alpha, of the Slater's Xalpha method as a fitting parameter and determine its value by constraining some physical quantity obtained from the self-consistent solution of the Xalpha method to be equal to…
We characterize Leavitt path algebras which are exchange rings in terms of intrinsic properties of the graph and show that the values of the stable rank for these algebras are 1, 2 or $\infty$. Concrete criteria in terms of properties of…
We use an exact renormalization-group transformation to study the Ising model on a complex network composed of tightly-knit communities nested hierarchically with the fractal scaling recently discovered in a variety of real-world networks.…
The auxiliary functions provide efficient computation of integrals arising at the self-consistent field (SCF) level for molecules using Slater-type bases. This applies both in relativistic and non-relativistic electronic structure theory.…
The Slater-type orbital basis with non-integer principal quantum numbers is a physically and mathematically motivated choice for molecular electronic structure calculations in both non-relativistic and relativistic theory. The…
The scalar difference equation $x_{n+1}=f_{n}(x_{n},x_{n-1},...,x_{n-k})$ may exhibit symmetries in its form that allow for reduction of order through substitution or a change of variables. Such form symmetries can be defined generally…
By investigating McKean-Vlasov SDEs, the order preservation and positive correlation are characterized for nonlinear Fokker-Planck equations. The main results recover the corresponding criteria on these properties established in [3, 5] for…
In their recent Letter [Phys. Rev. Lett. 83, 4233 (1999)], Salazar and Toral (ST) study numerically a finite Ising chain with non-integrable interactions decaying like 1/r^(d+sigma) where -d <= sigma <= 0 (like ST, we discuss general…
Using the shift-operator technique, a compact formula for the Fourier transform of a product of two Slater-type orbitals located on different atomic centers is derived. The result is valid for arbitrary quantum numbers and was found to be…
Particle number fluctuations, no matter how small, are present in experimental set-ups. One should rigorously take these fluctuations into account, especially, for entanglement detection. In this context, we generalize the spin squeezing…
If the $n-th$ order differential equation is not exact, under certain conditions, an integrating factor exists which transforms the differential equation into an exact one. Hence, its order can be reduced to the lower order. In this paper,…
Stable reduction methods will be important in the evaluation of high-order perturbative diagrams appearing in QCD and mixed QCD-electroweak radiative corrections at the LHC. Differential reduction techniques are useful for relating…
The aim of this article is to give some improvements of Jordan-Steckin and Becker-Stark inequalities discussed in [1].
Order statistics of periodic, Gaussian noise with 1/f^{\alpha} power spectrum is investigated. Using simulations and phenomenological arguments, we find three scaling regimes for the average gap d_k=<x_k-x_{k+1}> between the k-th and…
We present an implementation of range separated functionals utilizing the Slater-function on grids in real space in the projector augmented waves method. The screened Poisson equation is solved to evaluate the necessary screened exchange…
We calculate the high energy behavior of quark-antiquark exchange in $\gamma^* \gamma^*$ elastic scattering by summing, to all orders, the leading double logarithmic contributions of the QCD ladder diagrams. Motivation comes from the LEP…
We consider Hardy-Rellich inequalities and discuss their possible improvement. The procedure is based on decomposition into spherical harmonics, where in addition various new inequalities are obtained (e.g. Rellich-Sobolev inequalities). We…
A reciprocal space formulation of the Cluster Variation is used in order to extract effective pair interactions in alloys from experimental short-range order diffuse intensities. The method is applied to the analysis of the short range…
Weakly separated collections arise in the cluster algebra derived from the Pl\"ucker coordinates on the nonnegative Grassmannian. Oh, Postnikov, and Speyer studied weakly separated collections over a general Grassmann necklace $\mathcal{I}$…
A long-standing puzzle in density-functional theory is the issue of the long-range behavior of the Kohn-Sham exchange-correlation potential at metal surfaces. As an important step towards its solution, it is proved here, through a rigurouos…