Local-density approximations (LDA) are a class of approximations to the exchange–correlation (XC) energy functional in density functional theory (DFT)...

becomes the difficulty within KS DFT. The simplest approximation is the local-density approximation (LDA), which is based upon exact exchange energy for...

successfully applied to real materials, in combination with the local density approximation of density functional theory. The DMFT treatment of lattice quantum...

diisopropylamide, a chemical base Local delivery agent, in e-mail Local-density approximation, in quantum mechanics Low density amorphous ice, a solid phase...

density differences except where they appear in terms multiplied by g, the acceleration due to gravity. The essence of the Boussinesq approximation is...

Band gap Bloch waves Kohn–Sham equations Kronig–Penney model Local-density approximation Duan, Feng; Guojun, Jin (2005). Introduction to Condensed Matter...

for illustrating the failure of density functional theory (using functionals based on the local-density approximation) and Hartree–Fock theory to account...

itself provides the basis for the local-density approximation to the exchange-correlation energy density functional. The term jellium was coined by Conyers...

exchange energy in orbital-free density functional theory (OFDFT) is the Dirac exchange as a Local Density Approximation (LDA) (1930) It is related to the...

zinc oxide varistor. He is also developed the time-dependent local-density approximation (TDLDA) and its author of various books in quantum many-body...

like a spectral density. Local variations, most often due to distortions of the original system, are often referred to as local densities of states (LDOSs)...

In statistics, kernel density estimation (KDE) is the application of kernel smoothing for probability density estimation, i.e., a non-parametric method...

with the dissertation The Structure of Finite Nuclei in the Local Density Approximation. He was a postdoc at the Niels Bohr Institute of the University...

Elliott H.; Seiringer, Robert (January 1, 2020). "The local density approximation in density functional theory". Pure and Applied Analysis. 2 (1): 35–73...

of interesting self-interstitials - recently discovered using Local-density approximation-calculations is the "spiro-interestitial" in graphite, named...

Leonard (1990). "Good semiconductor band gaps with a modified local-density approximation". Physical Review B. 41 (11): 7868–7871. Bibcode:1990PhRvB..41...

The simplest model is the Local-density approximation (LDA), becoming more complex with the generalized-gradient approximation (GGA) and beyond. An additional...

θ {\displaystyle \theta } the joint is an un-normalised density. In Laplace's approximation, we approximate the joint by an un-normalised Gaussian q...

manner) by simple one-electron theories such as the local-density approximation (LDA) of density-functional theory or Hartree–Fock theory. For instance...

of Density Functional Theory approximations can be used, including the local-density approximation (LDA), the generalized gradient approximation (GGA)...

Arun Rojanasakul (2007) The Chachiyo correlation functional for local-density approximation, by Teepanis Chachiyo (2016) A new reconstruction of the phonology...

charge of the individual particles with density n (SI unit: coulombs). A common approximation to the current density assumes the current simply is proportional...

Hybrid functionals are a class of approximations to the exchange–correlation energy functional in density functional theory (DFT) that incorporate a portion...

In mathematical physics, the WKB approximation or WKB method is a technique for finding approximate solutions to linear differential equations with spatially...

In mathematical analysis, the Weierstrass approximation theorem states that every continuous function defined on a closed interval [a, b] can be uniformly...

phase approximation), the TDLDA or ALDA (adiabatic local-density approximation) plus other non-local approximations, including or neglecting local-field...

contributes to the free energy density due to their presence, often characterized by a term known as the Rapini approximation: F s = − ∮ 1 2 W ( n ^ ⋅ ν ^...

complex quantity and usually approximations are needed to solve the problem. One such approximation is the GW approximation, so called from the mathematical...

Relative density, also called specific gravity, is a dimensionless quantity defined as the ratio of the density (mass of a unit volume) of a substance...

version of this theorem, that the normal distribution may be used as an approximation to the binomial distribution, is the de Moivre–Laplace theorem. Let...