Related papers: van der Waals coupling in atomically doped carbon …
The formalism to augment the classical models of equation of state for real gases with the quantum statistical effects is presented. It allows an arbitrary excluded volume procedure to model repulsive interactions, and an arbitrary…
Using a van der Waals density functional (vdW-DF) [Phys. Rev. Lett. 92, 246401 (2004)], we perform ab initio calculations for the adsorption energy of benzene (Bz) on Cu(111) as a function of lateral position and height. We find that the…
Carbon nanotubes are modeled as point particle configurations in the framework of Molecular Mechanics, where interactions are described by means of short range attractive-repulsive potentials. The identification of local energy minimizers…
We present a study on the quantum transport properties of chemically functionalized metallic double-walled carbon nanotubes (DWNTs) with lengths reaching the micrometer scale. First-principles calculations evidence that, for coaxial tubes…
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…
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…
An investigation concerning the tautness of suspended carbon nanotubes (CNTs), grown using the chemical vapor deposition (CVD) method is presented. The suspended nanotubes were analyzed with both a transmission electron microscope (TEM),…
Analyzing new experiments with ultracold neutrons (UCNs) we show that physical adsorption of nanoparticles/nano-droplets, levitating in high-excited states in a deep and broad potential well formed by van der Waals/Casimir-Polder (vdW/CP)…
We show that the performance and functionality of atom-chips can be transformed by using graphene-based van der Waals heterostructures to overcome present limitations on the lifetime of the trapped atom cloud and on its proximity to the…
Neutral atoms interact through a van der Waals potential which asymptotically falls off as r^{-6}. In ultracold gases, this interaction can be described to a good approximation by the atom-atom scattering length. However, corrections arise…
Van der Waals (vdW) forces play a fundamental role in the structure and behavior of diverse systems. Thanks to development of functionals that include non-local correlation, it is possible to study the effects of vdW interactions in systems…
Superatomic crystals are composed of discrete modular clusters that emulate the role of atoms in traditional atomic solids$^{1-4}$. Owing to their unique hierarchical structures, these materials are promising candidates to host exotic…
In a single state of a quantum dot the Kondo effect arises due to the spin-degeneracy, which is present if the dot is occupied with one electron (N = 1). The eigenstates of a carbon nanotube quantum dot possess an additional orbital…
A recently proposed density-dependent van der Waals model, with only $4$ free parameters adjusted to fix binding energy, saturation density, symmetry energy, and incompressibility, is analyzed under symmetric and asymmetric nuclear matter…
A generalization of the Anderson model that includes pseudo-Jahn-Teller impurity coupling is proposed to describe distortions of an endohedral impurity in a carbon nanotube. Treating the distortion within mean-field theory, spontaneous…
Carbon nanotubes have attracted considerable interest for their unique electronic properties. They are fascinating candidates for fundamental studies of one dimensional materials as well as for future molecular electronics applications. The…
The efficiency of optical trapping of ultracold atoms depend on the atomic dynamic dipole polarizability governing the atom-field interaction. In this article, we have calculated the real and imaginary parts of the dynamic dipole…
New advances in x-ray diffraction, extended x-ray absorption fine structure EXAFS and x-ray absorption near edge structure XANES using synchrotron radiation have now provided compelling evidence for a short range charge density wave phase…
We consider the the van der Waals force involving excited atoms in general environments, constituted by magnetodielectric bodies. We develop a dynamical approach studying the dynamics of the atoms and the field, mutually coupled. When only…
The electronic properties of boron-nitride nanoribbons (BNNRs) doped with a line of carbon atoms are investigated by using density functional calculations. Three different configurations are possible: the carbon atoms may replace a line of…