Related papers: Universal Pairwise Interatomic van der Waals Poten…
Two-dimensional transition metal dichalcogenides (TMDs) exhibit remarkable thermal anisotropy due to their strong intralayer covalent bonding and weak interlayer van der Waals (vdW) interactions. However, accurately modeling their thermal…
We study the shift of rotational levels of a diatomic polar molecule due to its van der Waals (vdW) interaction with a gently curved dielectric surface at temperature $T$, and submicron separations. The molecule is assumed to be in its…
In this work the induced van der Waals interaction between a pair of neutral atoms or molecules is considered by use of a statistical mechanical method. Commonly this interaction is obtained by standard quantum mechanical perturbation…
We obtained new nonrelativistic expression for the dynamical van der Waals atom -surface interaction energy of very convenient form for different applications. It is shown that classical result (Ferrell and Ritchie, 1980) holds only for a…
Momentum-matched type II van der Waals heterostructures (vdWHs) have been designed by assembling layered two-dimensional semiconductors (2DSs) with special band-structure combinations - that is, the valence band edge at the Gamma point (the…
Renormalization ideas can profitably be exploited in conjunction with the superposition principle of boundary conditions in the description of model independent and universal scaling features of the singular and long range Van der Waals…
Proton-transfer (PT) between organic complexes is a common and important biochemical process. Unfortunately, PT energy barriers are difficult to accurately predict using density functional theory (DFT); in particular, the generalized…
The dispersive interaction between nanotubes is investigated through ab initio theory calculations and in an analytical approximation. A van der Waals density functional (vdW-DF) [Phys. Rev. Lett. 92, 246401 (2004)] is used to determine and…
Students encounter harmonic-oscillator models in many aspects of basic physics, within widely-varying theoretical contexts. Here we highlight the interconnections and varying points of view. We start with the classical mechanics of masses…
Van der Waals trap, a quantum fluctuation-induced potential characterized by short-range repulsive and long-range attractive forces, is intrinsically nonlinear. This work unveils the nonlinear effects on Brownian oscillators in the van der…
A common approach to modeling dispersion interactions and overcoming the inaccurate description of long-range correlation effects in electronic structure calculations is the use of pairwise-additive potentials, as in the…
Since the development of the nonlocal correlation functional vdW-DF, the family of van der Waals density functionals has grown to better describe a wide variety of systems. A recent generation of the vdW-DF family, vdW-DF3, featured a…
We investigate the van der Waals interactions in solid molecular hydrogen structures. We calculate enthalpy and the Gibbs free energy to obtain zero and finite temperature phase diagrams, respectively. We employ density functional theory…
We consider the one-dimensional ions dynamics in weakly collisional plasmas governed by the Vlasov-Poisson-Landau system under the Boltzmann relation with the small collision frequency $\nu>0$. It is observed in physical experiments that…
It is argued that the van der Waals force exerted by the liquid and vapor/air on the molecules escaping from one phase into the other strongly affects the characteristics of evaporation. This is shown using two distinct descriptions of the…
Twisted layered van-der-Waals materials often exhibit unique electronic and optical properties absent in their non-twisted counterparts. Unfortunately, predicting such properties is hindered by the difficulty in determining the atomic…
The mounting interest in conducting thorough analyses and studies of long-range interactions stems from their wide-ranging applications in cold atomic physics, making it a compelling area for research. In this work, we have evaluated long…
We introduce a class of variational wavefunctions that capture the long-range interaction between neutral systems (atoms and molecules) without changing the diagonal of the density matrix of each monomer. The corresponding energy…
Density-functional theory (DFT) has been widely used to study water and ice for at least 20 years. However, the reliability of different DFT exchange-correlation (xc) functionals for water remains a matter of considerable debate. This is…
We consider the energy shift for an atom close to a non-magnetic body with a magnetic moment coupled to a quantized magnetic field. The corresponding repulsive Casimir-Polder force is obtained for a perfect conductor, a metal, a dielectric…