Related papers: Macroscopic Quantum Electrodynamics and Density Fu…
The realization and control of collective effects in quantum emitter ensembles have predominantly focused on small, ordered systems, leaving their extension to larger, more complex configurations as a significant challenge. Quantum photonic…
We consider a family of thermodynamic models such that the energy density can be expressed as an asymptotic expansion in the scale formal parameter and whose terms are suitable functions of the volume density. We examine the possibility to…
Conceiving a molecule as composed of smaller molecular fragments, or subunits, is one of the pillars of the chemical and physical sciences, and leads to productive methods in quantum chemistry. Using a fragmentation scheme, efficient…
The optical properties of molecules close to plasmonic nanostructures greatly differ from their isolated molecule counterparts. To theoretically investigate such systems in a Quantum Chemistry perspective, one has to take into account that…
Progress in ultracold experiments with polar molecules requires a clear understanding of their interactions and reactivity at ultra-low collisional energies. Two important theoretical steps in this process are the characterization of…
Van der Waals materials enable the construction of atomically sharp interfaces between compounds with distinct crystal and electronic properties. This is dramatically exploited in moir\'e systems, where a lattice mismatch or twist between…
Van der Waals heterostructures have promised the realisation of artificial materials with multiple physical phenomena such as giant optical nonlinearities, spin-to-charge interconversion in spintronics and topological carrier protection, in…
We propose a practical approach to spin-polarized systems within the van der Waals density functional (vdW-DF). The method was applied to a gas phase oxygen molecule and a parallel (H-type) pair of oxygen molecules. It was found that vdW-DF…
In this paper, we address the problem of luminescence polarization in the case of nanostructures characterized by an in-plane shape asymmetry. We develop a simple semi-qualitative model revealing the mechanism that accounts for the…
We calculate the properties of a graphene monolayer on the Ir(111) surface, using the model in which the periodicities of the two structures are assumed equal, instead of the observed slight mismatch which leads to a large superperiodic…
Optical thermodynamics offers a distinctive framework for understanding complex phenomena in multimode systems, yet standard ideal-gas-like formulation neglects the effect of nonlinear interaction on thermodynamic quantities, significantly…
We analyze a decomposition of the Coulomb electron-electron interaction into a long-range and a short-range part in the framework of density functional theory, deriving some scaling relations and the corresponding virial theorem. We study…
Charge transport in organic semiconductors is notoriously extremely sensitive to the presence of disorder, both internal and external (i.e. related to the interactions with the dielectric layer), especially for n-type materials. Internal…
Van-der-Waals (vdW) ferromagnets have enabled the development of heterostructures assembled from exfoliated monolayers with spintronics functionalities, making it important to understand and ultimately tune their magnetic properties at the…
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…
The paper analyzes theoretically the influence of fullerenes on the characteristics of $\mathrm{Al/C}_{60}$ composites. The molecular dynamics method is used to study the dependences of density and stiffness constants on the concentration…
Macroscopic quantum electrodynamics (MQED) provides a unified framework to describe quantum electromagnetic fields in the presence of arbitrary macroscopic environments. Central to this theory is the field correlation, which governs both…
A model to describe electronic correlations in energy bands is considered. The model is a generalization of the conventional Hubbard model that allows for the fact that the wavefunction for two electrons occupying the same Wannier orbital…
van der Waals interactions govern the physics of a plethora of molecular structures. It is well known that the leading term in the distance-based London expansion of the van der Waals energy for atomic and molecular dimers decays as…
The chromoelectric polarizability of mesons governs the strength of the gluonic van der Waals force and therefore of non-quark-exchange processes in hadronic physics. We compute the polarizability of heavy mesons with the aid of lattice…