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We describe a new approach based on semiclassical molecular dynamics that allows to simulate infrared absorption or emission spectra of molecular systems with inclusion of anharmonic intensities. This is achieved from semiclassical power…

化学物理 · 物理学 2018-11-12 Marco Micciarelli , Riccardo Conte , Jaime Suarez , Michele Ceotto

The strong coupling between elementary excitations of the electromagnetic field (photons) and quantized mechanical vibrations (phonons) produces hybrid quasi-particle states, known as phonon-polaritons. Their typical signature is the…

量子物理 · 物理学 2021-10-27 A. Ranfagni , P. Vezio , M. Calamai , A. Chowdhury , F. Marino , F. Marin

Electric interactions have a strong impact on the structure and dynamics of biomolecules in their native water environment. Given the variety of water arrangements in hydration shells and the femto- to subnanosecond time range of structural…

化学物理 · 物理学 2021-08-27 Thomas Elsaesser , Jakob Schauss , Achintya Kundu , Benjamin P. Fingerhut

Multipoles are paramount for describing electromagnetic fields in many areas of nanoscale optics, playing an essential role for the design of devices in plasmonics and all-dielectric nanophotonics. Challenging the traditional division into…

As pioneering experiments have shown, strong vibrational coupling between molecular vibrations and light modes in an optical cavity can significantly alter molecular properties and even affect chemical reactivity. However, the current…

化学物理 · 物理学 2024-07-26 Thomas Schnappinger , Markus Kowalewski

For dipole-carrying excitations observed in a high-quality resonator, strong-coupling modes can appear as composite bosons with the spontaneous formation of quantized vortices in the condensed phase of a polariton fluid. In…

介观与纳米尺度物理 · 物理学 2021-12-08 E. O. Kamenetskii

In a combined experimental and theoretical effort, we demonstrate a novel type of dipolar system made of ultracold bosonic dipolar molecules with large magnetic dipole moments. Our dipolar molecules are formed in weakly bound Feshbach…

Giant unilamellar vesicles subjected to pulsed direct-current (pulsed-DC) fields are promising biomimetic systems to investigate the electroporation of cells. In strong electric fields, vesicles undergo significant deformation, which…

软凝聚态物质 · 物理学 2021-08-09 Sudip Das , Marc Jaeger , Marc Leonetti , Rochish M. Thaokar , Paul G. Chen

In the present work, we give an analytical non-perturbative treatment of mode-mode coupling and anharmonicity occurring in molecular vibrational systems analyzed by 2D-infrared spectroscopy. This analytical description allows a detailed…

化学物理 · 物理学 2013-09-04 Kuo Kan Liang , Albert A. Villaeys

A two-component two-dimensional (2D) dipolar bosonic system in the bilayer geometry is considered. By performing quantum Monte Carlo simulations in a wide range of layer spacings we analyze in detail the pair correlation functions, the…

量子气体 · 物理学 2016-08-03 Alexey Filinov

Strong coupling between excitons and confined modes of light presents a promising pathway to tunable and enhanced energy transport in organic materials. By forming hybrid light-matter quasiparticles, exciton-polaritons, electronic…

化学物理 · 物理学 2024-11-01 Niclas Krupp , Gerrit Groenhof , Oriol Vendrell

Distinguished by their long lifetimes, strong dipolar interactions, and periodic confinement, moir\'e excitons provide a fertile territory for realizing interaction-driven excitonic phases beyond conventional semiconductor systems. Formed…

We examine the low-lying collective quasiparticle modes of a quasi-one-dimensional mixture of Bose-Einstein condensates having dipolar and non-dipolar atomic species. The dipolar atomic species have permanent magnetic dipolar moments. We…

量子气体 · 物理学 2025-12-09 Harsimranjit Kaur , Kuldeep Suthar

Polaritons are quasiparticles arising from the strong coupling of electromagnetic waves in cavities and dipolar oscillations in a material medium. In this framework, localized surface plasmon in metallic nanoparticles defining optical…

A general theory of electronic excitations in aggregates of molecules coupled to intramolecular vibrations and the harmonic environment is developed for simulation of the third-order nonlinear spectroscopy signals. The model is applied in…

化学物理 · 物理学 2014-01-17 Vytautas Butkus , Leonas Valkunas , Darius Abramavicius

We make a detailed assessment of which form of the dipole operator to use in calculating high order harmonic generation within the framework of the strong field approximation, and look specifically at the role the form plays in the…

原子物理 · 物理学 2015-05-19 B. B. Augstein , C. Figueira de Morisson Faria

Experimental and theoretical evidence point out to the crucial role of specific resonant intramolecular vibrational modes in the interpretation of long-lived coherences observed in two-dimensional spectra of some natural and synthetic light…

化学物理 · 物理学 2020-07-15 Leonardo F. Calderón , Leonardo A. Pachón

We have developed a formulation of density functional perturbation theory for the calculation of vibrational frequencies in molecules and solids, which uses numerical atomic orbitals as a basis set for the electronic states. The (harmonic)…

材料科学 · 物理学 2007-05-23 J. M. Pruneda , S. K. Estreicher , J. Junquera , J. Ferrer , P. Ordejon

Confined electromagnetic modes strongly couple to collective excitations in ensembles of quantum emitters, producing light-matter hybrid states known as polaritons. Under such conditions, the discrete multilevel spectrum of molecular…

量子物理 · 物理学 2022-06-01 Jorge A. Campos-Gonzalez-Angulo , Joel Yuen-Zhou

Electric dipoles of water molecules, enclosed singly in regularly spaced nanopores of a cordierite crystal, become ordered at low temperature due to their mutual interaction and show the frequency dependence of their dielectric…

材料科学 · 物理学 2021-08-11 Veniamin A. Abalmasov