Publications associées à Applicability of the Thawed Gaussian Wavepacket Dynamics to the Calculation of Vibronic Spectra of Molecules with Double-Well Potential Energy Surfaces br

Publications associées (11)

BaZrS3 Lights Up: The Interplay of Electrons, Photons, and Phonons in Strongly Luminescent Single Crystals

Chalcogenide perovskites have emerged as a promising class of materials for the next generation of optoelectronic applications, with BaZrS3 attracting significant attention due to its wide bandgap, earth-abundant composition, and thermal and chemical stabi ...

2025

Identification of Spectral Distributions in Light-Dosimetry Data: Methodology and Application to an Intervention Field Study

Marilyne Andersen, Steffen Lutz Hartmeyer

Modern life in predominantly indoor environments has led to a profound alteration in the amount, spectral distribution, and pattern of light humans are exposed to daily. Given the role of light in health and well-being, and to understand how modern living ...

2024

Metasurface-Enhanced Mid-Infrared Sensing Based on Integrated Polycrystalline Silicon Metagratings

Simone Iadanza

This paper explores the design and optimization of all-dielectric metasurfaces, consisting of silicon meta-atoms on calcium fluoride (CaF2) and silicon nitride (Si3N4) substrates, to enhance infrared absorption. This optimization results in intense light-m ...

Institute of Electrical and Electronics Engineers Inc.2024

Negative Refractive Index in Dielectric Crystals Containing Stoichiometric Rare-Earth Ions

Henrik Moodysson Rønnow

Double-negative refractive index materials have attracted sustained experimental and theoretical interest because they can display a range of surprising optical phenomena, including negative Doppler shifts and perfect lensing. Double-negative indexes have ...

Wiley-V C H Verlag Gmbh2023

Tracking local and global structural changes in a protein by cold ion spectroscopy

Oleg Boyarkine, Vladimir Kopysov, Natalia Nagornova, Andrei Zviagin

Characterization of native structures of proteins in the gas phase remains challenging due to the unpredictable conformational changes the molecules undergo during desolvation and ionization. We spectroscopically studied cryogenically cooled protonated pro ...

ROYAL SOC CHEMISTRY2022

Axial-Bonding-Driven Dimensionality Effect on the Charge-Density Wave in NbSe2

László Forró, Helmuth Berger

2H-NbSe2 is a prototypical charge-density-wave (CDW) system, exhibiting such a symmetry-breaking quantum ground state in its bulk and down to a single-atomic-layer limit. However, how this state depends on dimensionality and what governs the dimensionality ...

AMER CHEMICAL SOC2022

Centimeter-Scale Propagation of Optical Surface Waves at Visible Wavelengths

Hans Peter Herzig, Nicolas Maxime André Descharmes, Babak Vosoughi Lahijani, Raphaël Barbey, Gaël David Osowiecki

Guiding and confining light at interfaces is crucial for applications involving light-matter interactions, such as surface spectroscopy, nonlinear optics, and quantum information technology. While dielectric surface waves offer promising perspectives for s ...

WILEY-V C H VERLAG GMBH2022

Physics-based representations for machine learning properties of chemical reactions

Anne-Clémence Corminboeuf, Matthew Wodrich, Alberto Fabrizio, Puck Elisabeth van Gerwen

Physics-based representations constructed using only atomic positions and nuclear charges (also known as quantum machine learning, QML) allow for the reliable and efficient inference of molecular properties from training data. Chemistry is a science rooted ...

2022

Chemical physics software

Michele Ceriotti

AIP Publishing2021

Coherent Spin Control of Single Molecules on a Surface

Tobias Bilgeri

Control of single electron spins constitutes one of the most promising platforms for spintronics, quantum sensing, and quantum information processing. Utilizing single molecular magnets as their hosts establishes an interesting framework since their molecu ...

AMER CHEMICAL SOC2021

Dissipative optomechanical coupling with a membrane outside of an optical cavity

Alexander Tagantsev

We theoretically study an optomechanical system which consists of a two-sided cavity and a mechanical membrane that is placed outside of it. The membrane is positioned close to one of its mirrors, and the cavity is coupled to the external light field throu ...

AMER PHYSICAL SOC2021