Related papers: Dispersion interactions from a local polarizabilit…
We derive an exact representation of the exchange-correlation energy within density functional theory (DFT) which spawns a class of approximations leading to correct long-range asymptotic behavior. In what amounts to be the simplest…
In biological and synthetic materials, many important processes involve charges that are present in a medium with spatially varying dielectric permittivity. To accurately understand the role of electrostatic interactions in such systems, it…
A kinetic equation which combines the quasiparticle drift of Landau's equation with a dissipation governed by a nonlocal and noninstantaneous scattering integral in the spirit of Enskog corrections is discussed. Numerical values of the…
By generalizing Bo Gao's approach [Phys. Rev. A 58, 1728 (1998)] for solving the Schr\"{o}dinger equation for an isotropic van der Waals (vdW) potential to the systems with a multi-scale anisotropic long-range interaction, we derive the…
A recently proposed "DFT+dispersion" treatment (Rajchel et al., Phys. Rev. Lett., 2010, 104, 163001) is described in detail and illustrated by more examples. The formalism derives the dispersion-free density functional theory (DFT)…
We calculate the non-retarded dispersion force exerted on an electrically polarizable quantum particle by a perfectly conducting toroid, which is one of the most common objects exhibiting a non-trivial topology. We employ a convenient…
This note summarizes the motivation for extending current density-functional theory to include nonlocal one-electron potentials, and proposes methodology for practical calculations. The theoretical model, orbital functional theory, has been…
Within the framework of macroscopic quantum electrodynamics in linear, causal media, we study the van der Waals potentials of ground-state atoms in planar magnetodielectric host media. Our investigation extends earlier ones in two aspects:…
In local effective potential theories of electronic structure, the electron correlations due to the Pauli exclusion principle, Coulomb repulsion, and correlation-kinetic effects, are all incorporated in the local electron-interaction…
The exact universal functional of integer charge leads to an extension to fractional charge asymptotically when it is applied to a system made of asymptotically separated densities. The extended functional is asymptotically local and is…
For the moment, there is no exact description of van der Waals (vdW) interactions. ACFD-RPA \cite{Gould1} is expected to better describe vdW bonding, but it is not exact. The PBE/DFT-D2 method is less satisfactory, however, its results are…
From a simplified version of the mathematical structure of the strong coupling limit of the exact exchange-correlation functional, we construct an approximation for the electronic repulsion energy at physical coupling strength, which is…
Detailed experimental data for physisorption potential-energy curves of H2 on low-indexed faces of Cu challenge theory. Recently, density-functional theory has been developed to also account for nonlocal correlation effects, including van…
Recent progress in the formulation of a fully dynamical local approximation to time-dependent Density Functional Theory appeals to the longitudinal and transverse components of the exchange and correlation kernel in the linear…
A new implementation is proposed for including van der Waals (vdW) interactions in Density Functional Theory (DFT) using the Maximally-Localized Wannier functions (MLWFs), which is free from empirical parameters. With respect to the…
We commence our study with review of dispersion interactions in electrolytes. We then reflect on how background media change atom-atom excited-state systems. To highlight the impact of nonlocal media, such as salt solutions, we predict that…
The multi-dimensional six-wave interaction system is derived in the context of nonlinear optics. Starting from Maxwell's equations, a reduced system of equations governing the dynamics of the electric and polarization fields are obtained.…
It is well known that for the case of two neutral but electrically polarizable atoms the consideration or not of retardation effects on the dispersive van der Waals force between them leads essentially to different power laws for the…
Based on exact limits and quantum Monte Carlo simulations, we obtain, at any density and spin polarization, an accurate estimate for the energy of a modified homogeneous electron gas where electrons repel each other only with a long-range…
We study interactions between bright matter-wave solitons which acquire chiral transport dynamics due to an optically-induced density-dependent gauge potential. Through numerical simulations, we find that the collision dynamics feature…