Related papers: Molecular van der Waals fluids in cavity quantum e…
Proper inclusion of van der Waals (vdW) interactions in theoretical simulations based on standard density functional theory (DFT) is crucial to describe the physics and chemistry of systems such as organic and layered materials. Many…
Polaritonic chemistry offers the possibility of modifying molecular properties and even influencing chemical reactivity through strong coupling between vibrational transitions and confined light modes in optical cavities. Despite…
We investigate the structural properties of liquid water at near ambient conditions using first-principles molecular dynamics simulations based on a semilocal density functional augmented with nonlocal van der Waals interactions. The…
Harnessing strong light-matter interactions to control chemical reactions in confined electromagnetic fields offers a promising route toward deepening our understanding of chemical dynamics at the collective quantum-mechanical level, with…
Light-matter interaction not only plays an instrumental role in characterizing materials' properties via various spectroscopic techniques but also provides a general strategy to manipulate material properties via the design of novel…
Mollow spectroscopy is a photon statistics spectroscopy, obtained by scanning the quantum light scattered from a source system. Here, we apply this technique to detect the weak light-matter interaction between the cavity and atom (or a…
A model for the late-time accelerated expansion of the universe is considered where a van der Waals fluid interacting with matter plays the role of dark energy. The transition towards this phase in the cosmic evolution history is discussed…
Optical nonlinear processes are indispensable in a wide range of applications including ultrafast laser sources, microscopy, metrology, and quantum information technologies. Combinations of the diverse nonlinear processes should further…
Nuclear quantum effects (NQE) tend to generate delocalized molecular dynamics due to the inclusion of the zero point energy and its coupling with the anharmonicities in interatomic interactions. Here, we present evidence that NQE often…
Based on a microscopic model, we use a functional integral approach to evaluate the quantum interaction energy between two neutral atoms. Each atom is coupled to the electromagnetic (EM) field via a dipole term, generated by an electron…
We investigate the influence of dynamic heterogeneity on the spectral shape of structural relaxation in van der Waals liquids above the melting point by means of depolarized dynamic light scattering. To this end, we study optically…
Strong coupling of molecules to the vacuum field of micro cavities can modify the potential energy surfaces opening new photophysical and photochemical reaction pathways. While the influence of laser fields is usually described in terms of…
In the context of light-matter interactions between organic chromophores and confined photons of (plasmonic) nano-resonators, we introduce a general framework that couples ab initio QM/MM molecular dynamics with few-mode field quantization…
Quantum systems inside high-Q cavities offer an excellent testbed for the control of emergent symmetries induced by light and their interplay with quantum matter. Recently several developments in cavity experiments with neutral atoms and…
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 have investigated atom-nanotube van der Waals (vdW) coupling in atomically doped carbon nanotubes (CNs). Our approach is based on the perturbation theory for degenerated atomic levels, thus accounting for both weak and strong…
Biomolecules are complex systems stabilized by a delicate balance of weak interactions, making it important to assess all energetic contributions in an accurate manner. However, it is a priori unclear which contributions make more of an…
Cavity optomechanics has proven to be a field of research rich with possibilities for studying motional cooling, squeezing, quantum entanglement and metrology in solid state systems. While to date most studies have focused on the modulation…
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 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…