Related papers: Solving the "Magic Angle" Challenge in Determining…
Combined Poisson's-Boltzman equations of hydrostatic equilibrium were set up and solved numerically for different baryonic components to obtain the molecular scale height as defined by the Half Width at Half Maxima (HWHM) in the spiral…
Molecular orientation is a fundamental requisite in the study of stereodirected dynamics of collisional and photoinitiated processes. In this last decade, variable hexapolar electric filters have been developed and employed for the…
We investigate the orientation dependence of high-order harmonic generation (HHG) from H$_2^+$ with different internuclear distances irradiated by intense laser fields both numerically and analytically. The calculated molecular HHG spectra…
We propose a polarimetric method for measuring the tilt angle of the LC director at an LC layer interface.The method involves the use of an LC cell operating in the mode of the total internal reflection of the ordinary wave. The method is…
In molecular physics, it is often necessary to average over the orientation of molecules when calculating observables, in particular when modelling experiments in the liquid or gas phase. Evaluated in terms of Euler angles, this is closely…
The ability to directly follow and time resolve the rearrangement of the nuclei within molecules is a frontier of science that requires atomic spatial and few-femtosecond temporal resolutions. While laser induced electron diffraction can…
A mesoscopic system of a few particles exhibits behaviors that strongly differ from those of a macroscopic system. While in a macroscopic system phase transitions are universal, a change in the state of a mesoscopic system depends on its…
In most cases the ultrafast dynamics of resonantly excited molecules are considered, and almost always computed in the molecular frame, while experiments are carried out in the laboratory frame. Here we provide a formalism in terms of a lab…
The electronic properties of heterostructures of atomically-thin van der Waals (vdW) crystals can be modified substantially by Moir\'e superlattice potentials arising from an interlayer twist between crystals. Moir\'e-tuning of the band…
We present a novel approach to model ultrafast time-dependent nonlinear optical polarization sensitive signals emitted from randomly-oriented molecules. By projecting the laboratory-frame analyzer polarization axis into the molecular frame…
Determining the atomic configuration of an interface is one of the most important issues in materials science research. Although theoretical simulations are effective tools, an exhaustive search is computationally prohibitive due to the…
When hydrogen molecules collide with a surface, they can either scatter away from the surface or stick to the surface through a dissociation reaction which leaves two H atoms adsorbed on the surface. The relative probabilities of these two…
Stars form in cold molecular clouds. However, molecular gas is difficult to observe because the most abundant molecule (H2) lacks a permanent dipole moment. Rotational transitions of CO are often used as a tracer of H2, but CO is much less…
Molecular dynamics simulations are performed to measure the kinetic coefficient at the solid-liquid interface in pure gold. Results are obtained for the (111), (100) and (110) orientations. Both Au(100) and Au(110) are in reasonable…
Genetic algorithms, as implemented in optimal control strategies, are currently successfully exploited in a wide range of problems in molecular physics. In this context, laser control of molecular alignment and orientation remains a very…
Epitaxial oxide interfaces with broken translational symmetry have emerged as a central paradigm behind the novel behaviors of oxide superlattices. Here, we use scanning transmission electron microscopy to demonstrate a direct, quantitative…
Ubiquitous to most molecular scattering methods is the challenge to retrieve bond distance and angle from the scattering signals since this requires convergence of pattern matching algorithms or fitting methods. This problem is typically…
We propose and investigate an "interface-flattening" transformation, hinging upon Transformation Optics (T.O.) techniques, to facilitate the rigorous analysis of electromagnetic (EM) fields radiated by sources embedded in tilted,…
We consider deflection of polarizable molecules by inhomogeneous optical fields, and analyze the role of molecular orientation and rotation in the scattering process. It is shown that molecular rotation induces spectacular rainbow-like…
Using molecular dynamics simulation with an angle-dependent Lennard-Jones potential, we study orientational glass with quadrupolar symmetry in mixtures of elliptic particles and circular impurities in two dimensions. With a mild aspect…