Related papers: Explicit corrections to the gradient expansion for…
For the kinetic energy of 1d model finite systems the leading corrections to local approximations as a functional of the potential are derived using semiclassical methods. The corrections are simple, non-local functionals of the potential.…
Building on the discussion in PRA 93, 042510 (2016), we present a systematic derivation of gradient corrections to the kinetic-energy functional and the one-particle density, in particular for two-dimensional systems. We derive the leading…
The gradient expansion of the kinetic energy functional, when applied for atoms or finite systems, usually grossly overestimates the energy in the fourth order and generally diverges in the sixth order. We avoid the divergence of the…
Modern density functional approximations achieve moderate accuracy at low computational cost for many electronic structure calculations. Some background is given relating the gradient expansion of density functional theory to the WKB…
We study the performance of fourth-order gradient expansions of the kinetic energy density (KED) in semi-local kinetic energy functionals depending on the density-dependent variables. The formal fourth-order expansion is convergent for…
Stationary solution of one-dimensional Sine-Gordon system is embedded in a multidimensional theory with explicitly finite domain in the added spatial dimensions. Semiclassical corrections to energy are calculated for static kink solution…
It seems self-evident that a density functional calculation should be normalized to the number of electrons in the system. We present multiple examples where the accuracy of the approximate energy is improved (sometimes greatly) by…
We derive the semiclassical Kirzhnits expansion of the D-dimensional one-particle density matrix up to the second order in $\hbar$. We focus on the two-dimensional (2D) case and show that all the gradient corrections both to the 2D…
The energy minimization involved in density functional calculations of electronic systems can be carried out using an exponential transformation that preserves the orthonormality of the orbitals. The energy of the system is then represented…
We perform a systematic WKB expansion to all orders for a one--dimensional system with potential $V(x)=U_0/\cos^2{(\alpha x)}$. We are able to sum the series to the exact energy spectrum. Then we show that any finite order WKB approximation…
In this paper we derive an almost explicit analytic formula for asymptotic eigenenergy expansion of arbitrary odd degree polynomial potentials of the form $V(x)=(ix)^{2N+1}+\beta _{1}x^{2N}+\beta _{2}x^{2N-1}+\cdot \cdot \cdot \cdot \cdot…
A corrector theory for the strong approximation of gradient fields inside periodic composites made from two materials with different power law behavior is provided. Each material component has a distinctly different exponent appearing in…
In a recent paper [Phys. Rev. B 90, 115134 (2014)] we put forward a diagrammatic expansion for the self-energy which guarantees the positivity of the spectral function. In this work we extend the theory to the density response function. We…
We present a novel analytical method for calculating the spectral function and the density of states in speckle potentials, valid in the semiclassical regime. Our approach relies on stationary phase approximations, allowing us to describe…
In a previous paper, I demonstrated the accuracy of simple, precessing, power ellipse (p-ellipse) approximations to orbits of low-to-moderate eccentricity in power-law potentials. Here I explore several extensions of these approximations to…
We study the asymptotic expansion of the neutral-atom energy as the atomic number Z goes to infinity, presenting a new method to extract the coefficients from oscillating numerical data. We find that recovery of the correct expansion is an…
The study of the convergence of power series expansions of energy eigenvalues for anharmonic oscillators in quantum mechanics differs from general understanding, in the case of quasi-exactly solvable potentials. They provide examples of…
Deviations from kinetic equilibrium of massive particles caused by the universe expansion are calculated analytically in the Boltzmann approximation. For the case of an energy independent amplitude of elastic scattering, an exact partial…
We study the derivative expansion for the effective action in the framework of the Exact Renormalization Group for a single component scalar theory. By truncating the expansion to the first two terms, the potential $U_k$ and the kinetic…
We examine the leading order semiclassical gradient corrections to the non-interacting kinetic energy density functional of a two dimensional Fermi gas by applying the extended Thomas-Fermi theory at finite temperature. We find a non-zero…