Related papers: Universal Pairwise Interatomic van der Waals Poten…
The cohesive energy, equilibrium lattice constant, and bulk modulus of noble metals are computed by different van der Waals-corrected Density Functional Theory methods, including vdW-DF, vdW-DF2, vdW-DF-cx, rVV10 and PBE-D. Two…
Taking into account the recently developed van der Waals (VDW) like equation of state (EoS) for grand canonical ensemble of fermions, the temperature dependent profiles of normalized entropy density ($s /T^3$) and the ratio of shear…
Based on macroscopic quantum electrodynamics in linearly and causally responding media, we study the local-field corrected van der Waals potentials and forces for unpolarized ground-state atoms placed within a magnetoelectric medium of…
The accurate treatment of long-range energy terms such as van der Waals interactions is crucial for reliable free energy calculations in molecular simulations. Methods like force switching, potential switching, potential shifting, and Ewald…
The paper discusses a model of Van der Waals crystals in which band-gap structures do not form. An effect of strong and chaotic electron-electron repulsion, which was excluded from consideration in the traditional approach, is taken into…
To understand sparse systems we must account for both strong local atom bonds and weak nonlocal van der Waals forces between atoms separated by empty space. A fully nonlocal functional form [H. Rydberg, B.I. Lundqvist, D.C. Langreth, and M.…
Nonlinear mechanics of solids is an exciting field that encompasses both beautiful mathematics, such as the emergence of instabilities and the formation of complex patterns, as well as multiple applications. Two-dimensional crystals and van…
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…
Within the frame of lowest-order perturbation theory, the van der Waals potential of a ground-state atom placed within an arbitrary dispersing and absorbing magnetodielectric multilayer system is given. Examples of an atom situated in front…
The variational method is used to study the hard confinement of a two-particle quantum system in two potential models, the Cornell potential and the global potential, with Dirichlet-type boundary conditions at various cut-off radii. The…
We study the two-body bound states of a model Hamiltonian that describes the interaction between two field-oriented dipole moments. This model has been used extensively in many-body physics of ultracold polar molecules and magnetic atoms,…
The representation of the potential energy surfaces of atom molecule or molecular dimers interactions should account faithfully for the symmetry properties of the systems, preserving at the same time a compact analytical form. To this aim,…
A theoretical investigation has been made of the magnetoplasmon excitations in a quasi-one-dimensional electron system comprised of vertically stacked, self-assembled InAs/GaAs quantum dots. The smaller length scales involved in the…
In this paper we employ all-electron time dependent density functional theory (TDDFT) to calculate the long range dipole-dipole dispersion coefficient (van der Waals coefficient) $C_{6}$ of alkali-metal atoms Li, Na, K, alkali-metal atom…
Dispersion forces such as van der Waals forces between two microscopic particles, the Casimir--Polder forces between a particle and a macroscopic object or the Casimir force between two dielectric objects are well studied in vacuum.…
Stacking and twisting 2D van der Waals (vdW) layers have become versatile platforms to tune electron correlation. These platforms rely on exfoliating vdW materials down to a single and few vdW layers. We calculate the intrinsic…
We derive the exchange-correlation potential corresponding to the nonlocal van der Waals density functional [M. Dion, H. Rydberg, E. Schroder, D. C. Langreth, and B. I. Lundqvist, Phys. Rev. Lett. 92, 246401 (2004)]. We use this potential…
Competing short- and long-range interactions represent distinguished ingredients for the formation of complex quantum many-body phases. Their study is hard to realize with conventional quantum simulators. In this regard, Rydberg atoms…
While the interaction potential between two dipoles residing in a single plane is repulsive, in a system of two vertically adjacent layers of dipoles it changes from repulsive interaction in the long range to attractive interaction in the…
A full-dimensional \emph{ab initio} potential energy surface of spectroscopic quality is developed for the van-der-Waals complex of a methane molecule and an argon atom. Variational vibrational states are computed on this surface including…