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We analyze the entanglement between electronic and nuclear motions in molecular wave functions, by using different widely used ansatzes in molecular Hamiltonian models (H$^+_2$ in 1D and the Shin-Metiu model); namely, i) Born-Oppenheimer…

量子物理 · 物理学 2025-11-13 Juan F. P. Mosquera , Jose Luis Sanz-Vicario

The electronic and nuclear dynamics in methanol, following 156~nm photoexcitation, are investigated by combining a detailed analysis of time-resolved photoelectron spectroscopy experiments with electronic structure calculations. The…

We consider the Pauli-Fierz Hamiltonian with dynamical nuclei and investigate the transitions between the resonant electronic energy levels under the assumption that there are no free photons in the beginning. Coupling the limits of small…

数学物理 · 物理学 2012-10-15 Stefan Teufel , Jakob Wachsmuth

A wide range of ultrafast phenomena in various atomic, molecular and condense matter systems is governed by electron dynamics. Therefore, the ability to image electronic motion in real space and real time would provide a deeper…

原子物理 · 物理学 2018-02-27 Daria Popova-Gorelova

Recently we reported a series of numerical simulations proving that it is possible in principle to create an electronic wave packet and subsequent electronic motion in a neutral molecule photoexcited by a UV pump pulse within a few…

原子与分子团簇 · 物理学 2016-10-24 P. Decleva , N. Quadri , A. Perveaux , D. Lauvergnat , F. Gatti , B. Lasorne , G. J. Halász , Á. Vibók

In an electronic decay process followed by fragmentation the kinetic energy release and electron spectra can be measured. Classically they are the mirror image of each other, a fact which is often used in practice. Quantum expressions are…

量子物理 · 物理学 2015-05-30 Ying-Chih Chiang , Frank Otto , Hans-Dieter Meyer , Lorenz S. Cederbaum

Ultrafast photoinduced dynamics of electronic excitation in molecular dimers is drastically affected by the dynamic reorganization of inter- and intra- molecular nuclear configuration modeled by a quantized nuclear degree of freedom [Cina…

数学物理 · 物理学 2009-11-10 Dmitri S. Kilin , Yuri V. Pereversev , Oleg V. Prezhdo

The problem of the transition of electron shells of atoms to excited states in the process of neutrinoless double-$\beta$ decay is investigated. This subject is crucial for modeling the energy spectrum of $\beta$-electrons, which is…

高能物理 - 唯象学 · 物理学 2023-11-13 M. I. Krivoruchenko , K. S. Tyrin , F. F. Karpeshin

The development of attosecond technology has enabled the real-time observation of coherent electron motion in atoms, molecules and condensed phases. Experimentally, it is now possible to generate laser pulses of durations of only a few tens…

化学物理 · 物理学 2017-05-18 David Ayuso

Auger electrons emitted after nuclear decay have potential application in targeted cancer therapy. For this purpose it is important to know the Auger electron yield per nuclear decay. In this work we measure the ratio of the number of…

医学物理 · 物理学 2019-01-14 M. Alotiby , I Greguric , T. Kibedi , I Greguric , B. Tee , M. Vos

Determining the electron neutrino mass by electron capture in $^{163}$Ho relies on an accurate understanding of the differential electron capture nuclear decay rate as a function of the distribution of the total decay energy between the…

核理论 · 物理学 2023-06-16 M. Brass , M. W. Haverkort

To date X-ray spectroscopy has become a routine tool that can reveal highly local and element-specific information on the electronic structure of atoms in complex environments. Here, we focus on nuclear dynamical effects in X-ray spectra…

化学物理 · 物理学 2016-08-12 Sven Karsten , Sergei D. Ivanov , Saadullah G. Aziz , Sergey I. Bokarev , Oliver Kühn

Streaking of photoelectrons has long been used for the temporal characterization of attosecond extreme ultraviolet pulses. When the time-resolved photoelectrons originate from a coherent superposition of electronic states, they carry an…

化学物理 · 物理学 2016-07-27 Markus Kowalewski , Kochise Bennett , Jérémy R. Rouxel , Shaul Mukamel

In the last two decades, non-equilibrium spectroscopies have evolved from avant-garde studies to crucial tools for expanding our understanding of the physics of strongly correlated materials. The possibility of obtaining simultaneously…

The study of electronic transitions within a molecule connected to the absorption or emission of light is a common task in the process of the design of new materials. The transitions are complex quantum mechanical processes and a detailed…

Imaging the quantum motion of electrons not only in real-time, but also in real-space is essential to understand for example bond breaking and formation in molecules, and charge migration in peptides and biological systems. Time-resolved…

原子物理 · 物理学 2012-07-20 Gopal Dixit , Oriol Vendrell , Robin Santra

Irradiation of a molecular system by an intense laser field can trigger dynamics of both electronic and nuclear subsystems. The lighter electrons usually move on much faster, attosecond time scale but the slow nuclear rearrangement damps…

化学物理 · 物理学 2020-08-26 Nikolay V. Golubev , Tomislav Begušić , Jiří Vaníček

Progress in electron-beam spectroscopies has recently enabled the study of optical excitations with combined space, energy and time resolution in the nanometer, millielectronvolt and femtosecond domain, thus providing unique access into…

光学 · 物理学 2019-11-13 Albert Polman , Mathieu Kociak , F. Javier García de Abajo

The electronic band structure, describing the periodic dependence of electronic quantum states on lattice momentum in reciprocal space, is a fundamental concept in solid-state physics. However, it's only well-defined for static nuclei. To…

Light-induced molecular dynamics often involve the excitation of several electronic, vibrational, and rotational states. Since the ensuing electronic and nuclear motion determines the pathways and outcomes of photoinduced reactions, our…