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The application of molecular dynamics (MD) simulations to the interpretation of Raman scattering spectra is hindered by inability of atomistic simulations to account for the dynamic evolution of electronic polarizability, requiring the use…

材料科学 · 物理学 2023-04-18 Atanu Paul , Anthony Ruffino , Stefan Masiuk , Jonathan Spanier , Ilya Grinberg

We propose a new approach for calculating the change of the absorption spectrum of a molecule when moved from the gas phase to a crystalline morphology. The so-called gas-to-crystal shift $\Delta{\cal E}_m$ is mainly caused by dispersion…

We obtain a general result for the Lamb shift of excited states of multi-level atoms in inhomogeneous electromagnetic structures and apply it to study atomic hydrogen in inverse-opal photonic crystals. We find that the photonic-crystal…

量子物理 · 物理学 2009-11-10 Xue-Hua Wang , Yuri S Kivshar , Ben-Yuan Gu

A theoretical study of spin dynamics in non-relativistic particle beams with interacting angular momenta traversing static, spatially varying magnetic fields is presented. The computational framework evaluates sinusoidal magnetic field…

Background: Atomic spectral lines from different isotopes display a small shift in energy, commonly referred to as the line isotope shift. One of the components of the isotope shift is the field shift, which depends on the extent and the…

原子物理 · 物理学 2016-11-03 A. Papoulia , B. G. Carlsson , J. Ekman

We study light propagation through a slab of cold gas using both the standard electrodynamics of polarizable media, and massive atom-by-atom simulations of the electrodynamics. The main finding is that the predictions from the two methods…

光学 · 物理学 2017-09-21 Juha Javanainen , Janne Ruostekoski , Yi Li , Sung-Mi Yoo

We examine the potential-energy curves and polarization of the dipole moments of two static polar molecules under the influence of an external dc electric field and their anisotropic dipole-dipole interaction. We model the molecules as…

量子物理 · 物理学 2024-09-24 Felipe Isaule , Robert Bennett , Jörg B. Götte

High-index spherical nanoparticles with low material losses support sharp high-Q electric and magnetic resonances and exhibit a number of interesting optical phenomena. Developments in fabrication techniques have enabled the further study…

光学 · 物理学 2020-12-30 D. A. Pidgayko , Z. F. Sadrieva , K. S. Ladutenko , A. A. Bogdanov

Fundamental constants such as masses and coupling constants of elementary particles can have small temporal and spatial variations in the scalar field dark matter model. These variations entail time oscillations of other constants, such as…

高能物理 - 唯象学 · 物理学 2024-11-18 V. V. Flambaum , A. J. Mansour , I. B. Samsonov , C. Weitenberg

We investigate the microscopic properties of the nonlinear optical response of crystalline solids within Floquet theory, and demonstrate that optically-induced microscopic charge distributions display complex spatial structure and…

量子物理 · 物理学 2020-12-08 Daria Popova-Gorelova , Vladislav Guskov , Robin Santra

Rotational levels of molecular free radicals can be tuned to degeneracy using laboratory-scale magnetic fields. Because of their intrinsically narrow width, these level crossings of opposite-parity states have been proposed for use in the…

Two-dimensional photonic crystal membranes provide a versatile planar architecture for integrated photonics to control the propagation of light on a chip employing high quality optical cavities, waveguides, beamsplitters or dispersive…

A dielectric material's response to light is macroscopically described by electric displacement fields due to polarization and susceptibility, but the atomistic origin is light-cycle-driven motion of electron densities in the restoring…

The electronic excitation of molecules triggers diverse phenomena such as luminescence and photovoltaic effects, which are the bases of various energy-converting devices. Understanding and control of the excitations at the single-molecule…

化学物理 · 物理学 2017-07-12 Hiroshi Imada , Kuniyuki Miwa , Miyabi Imai-Imada , Shota Kawahara , Kensuke Kimura , Yousoo Kim

We study the structure of the energy spectra along with the character of the states participating in optical transitions in colloidal CdS quantum dots (QDs) using the {\sl ab initio} accuracy charge patching method combined with the…

材料科学 · 物理学 2009-11-11 D. O. Demchenko , Lin-Wang Wang

We analyze how a probing particle modifies the infrared electromagnetic near field of a sample. The particle, described by electric and magnetic polarizabilities, represents the tip of an apertureless scanning optical near-field microscope…

Interfaces between aqueous electrolytes and nanoporous carbons are involved in a number of technological applications such as energy storage and capacitive deionization. The disordered nature of the carbon materials makes it challenging to…

材料科学 · 物理学 2022-07-21 Anagha Sasikumar , John M. Griffin , Céline Merlet

Freezing of charged colloids on square or triangular two-dimensional periodic substrates has been recently shown to realize a rich variety of orientational orders. We propose a theoretical framework to analyze the corresponding structures.…

统计力学 · 物理学 2009-11-10 R. Agra , F. van Wijland , E. Trizac

The potential of mean-field decomposition techniques in interpreting electronic transitions in molecules is explored, particularly, the usefulness of these for offering computational signatures of different classes of such excitations. When…

化学物理 · 物理学 2022-02-14 Janus J. Eriksen

The broadening of lines by Stark effect is an important tool for inferring electron density and temperature in plasmas. Stark-effect calculations often rely on atomic data (transition rates, energy levels,...) not always exhaustive and/or…

原子物理 · 物理学 2016-06-22 Jean-Christophe Pain , Franck Gilleron , Dominique Gilles