Related papers: A functional approach to the Van der Waals interac…
The long-range interaction between two atoms and the long-range interaction between an ion and an electron are compared at small and large intersystem separations. The vacuum dressed atom formalism is applied and found to provide a…
A new reference state for density functional theory, termed the independent atom ansatz, is introduced in this work. This ansatz allows for the exact representation of electron density in terms of non-interacting, atom-localized orbitals.…
We derive a non-empirical, orbital-free density functional for the total energy of interacting electrons in two dimensions. The functional consists of a local formula for the interaction energy, where we follow the lines introduced by Parr…
In classical thermodynamics the Euler relation is an expression for the internal energy as a sum of the products of canonical pairs of extensive and intensive variables. For quantum systems the situation is more intricate, since one has to…
The dynamics of interacting dark matter-dark energy models is characterized through an interaction rate function quantifying the energy flow between these dark sectors. In most of the interaction functions, the expansion rate Hubble…
We propose a new approach to calculate van der Waals forces between nanoparticles where the van der Waals energy can be reduced to the energy of elementary surface plasmon oscillations in nanoparticles. The general theory is applied to…
Nanostructures can be bound together at equilibrium by the van der Waals (vdW) effect, a small but ubiquitous many-body attraction that presents challenges to density functional theory. How does the binding energy depend upon the size or…
By using the recently generalized version of Newton Shell Theorem analytical equations are derived to calculate the electric interaction energy between two separated charged spheres surrounded outside and inside by electrolyte. This…
The Lifshitz-type formulas describing the free energy and the force of the van der Waals interaction between an atom (molecule) and a single-wall carbon nanotube are obtained. The single-wall nanotube is considered as a cylindrical sheet…
The past few years has brought renewed focus on the physics behind the class of materials characterized by long-range interactions and wide regions of low electron density, sparse matter. There is now much work on developing the appropriate…
We study the interactions between two negatively charged macroscopic surfaces confining positive counterions. A density-functional approach is introduced which, besides the usual mean-field interactions, takes into account the correlations…
In this paper, we introduce a new interacting mechanism within the dark sector, encompassing both dark energy and dark matter, while grounding our analysis in the familiar framework of the $\mathrm{\Lambda CDM}$ model augmented by baryons…
We report on a methodology for the treatment of the Coulomb energy and potential in Kohn-Sham density functional theory that is free from self-interaction effects. Specifically, we determine the Coulomb potential given as the functional…
We consider van der Waals interactions between in-plane fibers, where the computational model employs the Lennard-Jones potential and the coarse-grained approach. The involved 6D integral over two interacting fibers is split into a 4D…
The combination of density functional theory with other approaches to the many-electron problem through the separation of the electron-electron interaction into a short-range and a long-range contribution is a promising method, which is…
We develop a general quantum theory for reactive collisions involving power-law potentials (-1/r^n) valid from the ultracold up to the high-temperature limit. Our quantum defect framework extends the conventional capture models to include…
As a first step to meet the challenge to calculate the electronic structure and total energy of charged states of atoms and molecules adsorbed on ultrathin-insulating films supported by a metallic substrate using density functional theory…
The method recently developed to include Van der Waals interactions in the Density Functional Theory by using the Maximally-Localized Wannier functions, is improved and extended to the case of atoms and fragments weakly bonded (physisorbed)…
We introduce a unified statistical framework for quantifying system-environment coupling by treating the interaction energy $V_\mathcal{SE}$ as a stochastic variable. Using a reference-particle decomposition, we derive exact, closed-form…
Proper inclusion of van der Waals (vdW) interactions in theoretical simulations based on standard density functional theory (DFT) is crucial to describe the physics and chemistry of systems such as organic and layered materials. Many…