相关论文: Finite size effects and non-additivity in the van …

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…

DFT is a valuable tool for calculating adsorption energies toward designing materials for hydrogen storage. However, dispersion forces being absent from the theory, it remains unclear how the consideration of van der Waals (vdW)…

This chapter deals with atom-wall interaction occurring in the "long-range" regime (typical distances: 1-1000 nm), when the electromagnetic fluctuations of an isolated atom are modified by the vicinity with a surface. Various regimes of…

A new scheme for the computation of dispersive interactions from first principles is presented. This cost-effective approach relies on a Wannier function representation compatible with density function theory descriptions. This is an…

For the interaction energy with repulsive-attractive potentials, we give generic conditions which guarantee the radial symmetry of the local minimizers in the infinite Wasserstein distance. As a consequence, we obtain the uniqueness of…

The van der Waals density functional (vdW-DF) of Dion et al. [Phys. Rev. Lett. 92, 246401 (2004)] is a promising approach for including dispersion in approximate density functional theory exchange-correlation functionals. Indeed, an…

We algebraically analysis the quantum Hall effect of a system of particles living on the disc ${\bf B}^1$ in the presence of an uniform magnetic field $B$. For this, we identify the non-compact disc with the coset space $SU(1,1)/U(1)$. This…

The structure and stability of atomic and molecular systems with van der Waals (vdW) bonding are often determined by the interplay between attractive dispersion interactions and repulsive interactions caused by electron confinement. Arising…

Optical conductivity (OC) can serve as a measure of correlation effects in a wide range of condensed matter systems. We here show that the long-range tail of the Coulomb interaction yields a universal correction to the OC in a…

We study critical point finite-size effects on the behavior of susceptibility of a film placed in the Earth's gravitational field. The fluid-fluid and substrate-fluid interactions are characterized by van der Waals-type power law tails, and…

We consider the system of three ${}^4$He atoms to assess whether a pure van der Waals potential can be used as a starting point for an effective field theory to describe three-body processes in ultracold atomic systems. Using a long-range…

The atomic dipole polarizability, $\alpha$, and the van der Waals (vdW) radius, $R_{\rm vdW}$, are two key quantities to describe vdW interactions between atoms in molecules and materials. Until now, they have been determined independently…

Although density functional theory (DFT) in principle includes even long-range interactions, standard implementations employ local or semi-local approximations of the interaction energy and fail at describing the van der Waals interactions.…

The Casimir-Polder interaction between an atom and a multilayered system composed of infinitely thin planes is considered using the zeta-function regularization approach with summation of the zero-point energies. As a prototype material,…

The dispersion interaction between a pair of parallel DNA double-helix structures is investigated by means of the van der Waals density functional (vdW-DF) method. Each double-helix structure consists of an infinite repetition of one B-DNA…

Dispersion interactions are long-range interactions between neutral ground-state atoms or molecules, or polarizable bodies in general, due to their common interaction with the quantum electromagnetic field. They arise from the exchange of…

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,…

We compute the $T=0K$ Van der Waals (nonretarded Casimir) interaction energy $E$ between two infinitely long, crossed conducting wires separated by a minimum distance $D$ much greater than their radius. We find that, up to a logarithmic…

We evaluate the self-diffusion and transport diffusion of interacting particles in a discrete geometry consisting of a linear chain of cavities, with interactions within a cavity described by a free-energy function. Exact analytical…

The interatomic dipole-dipole interaction is commonly thought to be the main physical reason for spectroscopic effects nonlinear in atomic density. However, we have found that the free motion of atoms can lead to other effects nonlinear in…