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Elastic Wave Packets Crossing a Space-Time Interface.
Phys Rev Lett
December 2024
Institut Langevin, ESPCI Paris, Université PSL, CNRS, 75005 Paris, France.
The interaction between waves and evolving media challenges traditional conservation laws. We experimentally investigate the behavior of elastic wave packets crossing a moving interface that separates two media with distinct propagation properties, observing the noninvariance of wavelength and frequency. Our experimental setup employs an elastic strip whose local stretching can be dynamically altered by pulling one end at a constant velocity.
View Article and Find Full Text PDFHighly enhanced reactivity of HCl on the Ag/Au(111) alloy surface via rotational quantum state excitation.
J Chem Phys
December 2024
State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, China.
Rotational excitations of reactants are often considered to have little impact on chemical reactivity compared to the excitations of vibrational modes and translational motion. Here, we reveal a significant influence of the rotational excitation of HCl on its dissociation on an Ag/Au(111) alloy surface. This finding is based on six-dimensional time-dependent wave packet calculations performed on an accurately fitted machine learning potential energy surface.
View Article and Find Full Text PDFModeling of warm dense hydrogen via explicit real-time electron dynamics: Dynamic structure factors.
Phys Rev E
November 2024
Department of Physics, University of Oxford, Oxford OX1 3PU, United Kingdom.
We present two methods for computing the dynamic structure factor for warm dense hydrogen without invoking either the Born-Oppenheimer approximation or the Chihara decomposition, by employing a wave-packet description that resolves the electron dynamics during ion evolution. First, a semiclassical method is discussed, which is corrected based on known quantum constraints, and second, a direct computation of the density response function within the molecular dynamics. The wave-packet models are compared to PIMC and DFT-MD for the static and low-frequency behavior.
View Article and Find Full Text PDFCoherent transient exciton transport in disordered polaritonic wires.
Nanophotonics
June 2024
Department of Chemistry and Cherry Emerson Center for Scientific Computation, Emory University, Atlanta, GA, USA.
Excitation energy transport can be significantly enhanced by strong light-matter interactions. In the present work, we explore intriguing features of coherent transient exciton wave packet dynamics on a lossless disordered polaritonic wire. Our main results can be understood in terms of the effective exciton group velocity, a new quantity we obtain from the polariton dispersion.
View Article and Find Full Text PDFVibronic Conical Intersection Trajectory Signatures in Wave Packet Coherences.
J Phys Chem Lett
December 2024
Department of Chemistry, The University of Chicago, Chicago, Illinois 60637, United States.
Conical intersections are ubiquitous in the energy landscape of chemical systems, drive photochemical reactivity, and are extremely challenging to observe spectroscopically. Using two-dimensional electronic spectroscopy, we observe the nonadiabatic dynamics in Wurster's Blue after excitation to the lowest two vibronic excited states. The excited populations relax ballistically through a conical intersection in 55 fs to the electronic ground state potential energy surface as the molecule undergoes an intramolecular electron transfer.
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