Related papers: Classical threshold law for the formation of van d…
A formula for the cross section and event rate constant describing recombination of N particles are derived in terms of general S-matrix elements. Our result immediately yields the generalized Wigner threshold scaling for the recombination…
We establish the well-posedness of the transient van Roosbroeck system in three space dimensions under realistic assumptions on the data: non-smooth domains, discontinuous coefficient functions and mixed boundary conditions. Moreover,…
Although the precise microscopic knowledge of van der Waals interactions is crucial for understanding bonding in weakly bonded layered compounds, very little quantitative information on the strength of interlayer interaction in these…
The low-energy scattering of three bosons or distinguishable particles with short-range interactions is characterized by a fundamental parameter, the three-body scattering hypervolume. Its imaginary part is directly related to the…
We propose a second version of the van der Waals density functional (vdW-DF2) of Dion et al. [Phys. Rev. Lett. 92, 246401 (2004)], employing a more accurate semilocal exchange functional and the use of a large-N asymptote gradient…
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…
We introduce a quantification of genuine three-party pure-state coherence for wave fields, classical and quantum, by borrowing concepts from classical optics. The tensor structure of a classical paraxial light beam composed of three…
The van der Waals (vdW) interaction plays a prominent role between neutral objects at separations where short ranged chemical forces are negligible. This type of dispersive coupling is determined by the interplay between geometry and…
The elastic collision between two H-like atoms utilizing an ab-initio static-exchange model (SEM) in the center of mass (CM) frame considering the system as a four-body Coulomb problem where all the Coulomb interaction terms in the direct…
The long-range electrostatic interactions between molecules depend strongly on their relative orientation, which manifests as a rotational state dependence. Interactions between molecules in the same rotational quantum state are well-known…
The structure of liquid water at ambient conditions is studied in ab initio molecular dynamics simulations using van der Waals (vdW) density-functional theory, i.e. using the new exchange-correlation functionals optPBE-vdW and vdW-DF2.…
We show that the quantum wavefunctional can be seen as a set of classical fields on the 3D space aggregated by a measure. We obtain a complete description of the wavefunctional in terms of classical local beables. With this correspondence,…
Path-integral molecular dynamics simulations based on density functional theory employing exchange-correlation density functionals capable of treating nonlocal van der Waals (vdW) interactions self-consistently provide a remarkably accurate…
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…
Multilayered van der Waals structures often lack periodicity, which difficults their modeling. Building on previous work for bilayers, we develop a tight-binding based, momentum space formalism capable of describing incommensurate…
Van der Waals (vdW) interactions are essential for describing molecules and materials, from drug design and catalysis to battery applications. These omnipresent interactions must also be accurately included in machine-learned force fields.…
Van der Waals forces as interactions between neutral and polarisable particles act at small distances between two objects. Their theoretical origin lies in the electromagnetic interaction between induced dipole moments caused by the vacuum…
Van der Waals potentials describing interactions between color-singlet mesons and/or baryons vanish at leading order in potential nonrelativistic quantum chromodynamics (pNRQCD). This result and constraints from Gauss's law are used to…
This contribution briefly reviews some recent work demonstrating the partial breakdown of the colloidal fluid <--> atomic fluid analogy. The success of liquid state theory for atomic fluids stems in part from the van der Waals picture,…
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…