Related papers: Single-molecule spectroscopy near structured diele…
We analyze a model problem representing a multi-electronic molecule sitting on a metal surface. Working with a reduced configuration interaction Hamiltonian, we show that one can extract very accurate ground state wavefunctions as compared…
We provide an analytical solution to study the near field optical effect of a core-shell nanostructure in proximity to a flat surface, within quasi-static approximation. The distribution of electrostatic potential and field enhancement in…
The experimental line shape broadening observed in adsorbate diffusion on metal surfaces with increasing coverage is usually related to the nature of the adsorbate-adsorbate interaction. Here we show that this broadening can also be…
We use numerical simulations to show how noninteracting hard particles binding to a deformable elastic shell may self-assemble into a variety of linear patterns. This is a result of the nontrivial elastic response to deformations of shells.…
The present investigation examines the relationship between structural order, diffusivity anomalies, and density anomalies in liquid silica by means of molecular dynamics simulations. We use previously defined orientational and…
Spectral analysis is performed on the Born equation, a strongly singular integral equation modeling the interactions between electromagnetic waves and arbitrarily shaped dielectric scatterers. Compact and Hilbert--Schmidt operator…
When a rigid rough solid slides on a rigid rough surface, it experiences a random motion in the direction normal to the average contact plane. Here, through simulations of the separation at single-point contact between self-affine…
Transport measurements are presented on a class of electrostatically defined lateral dots within a high mobility two dimensional electron gas (2DEG). The new design allows Coulomb Blockade(CB) measurements to be performed on a single…
Calculations of electronic and optical properties of solids at finite temperature including electron-phonon interactions and quantum zero-point renormalization have enjoyed considerable progress during the past few years. Among the emerging…
Lipid vesicles appear ubiquitously in biological systems. Understanding how the mechanical and intermolecular interations deform vesicle membrane is a fundamental question in biophysics. In this article we developed a fast algorithm to…
We consider deflection of rotating symmetric molecules by inhomogeneous optical and static electric fields, compare results with the case of linear molecules, and find new singularities in the distribution of the scattering angle.…
Combining classical electrodynamics and density functional theory (DFT) calculations, we develop a general and rigorous theoretical framework that describes the energetics of metal surfaces under high electric fields. We show that the…
Linear clusters made by tightly connecting two or more metallic nanoparticles have new types of surface plasmon resonances as compared to isolated nanoparticles. These new resonances are related to the size of the junction and to the number…
We develop an analytical model for calculation of optical spectra for metal nanostructures of arbitrary shape supporting localized surface plasmons (LSPs). For plasmonic systems with characteristic size below the diffraction limit, we…
An inhomogeneous electric field is used to study the deflection of a supersonic beam of water molecules. The deflection profiles show strong broadening accompanied by a small net displacement towards higher electric fields. The profiles are…
We study a general problem of the translational/rotational/vibrational/electronic dynamics of a diatomic molecule exposed to an interaction with an arbitrary external electromagnetic field. The theory developed in this paper is relevant to…
Amorphous materials are coming within reach of realistic computer simulations, but new approaches are needed to fully understand their intricate atomic structures. Here, we show how machine-learning (ML)-based techniques can give new,…
Single layered molybdenum disulfide with a direct bandgap is a promising two-dimensional material that goes beyond graphene for next generation nanoelectronics. Here, we report the controlled vapor phase synthesis of molybdenum disulfide…
The problem of determining equilibrium configurations of the free surface of a conducting liquid is considered with allowance for a finite interelectrode distance. The analogy is established between this electrostatic problem and that of…
We present a simple, accurate method for computing singular or nearly singular integrals on a smooth, closed surface, such as layer potentials for harmonic functions evaluated at points on or near the surface. The integral is computed with…