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We present an effective medium theory based on density functional theory that is implemented in VASP using the PAW method with a plane wave basis set. The transmission coefficient is derived through three complementary approaches: the…

Mesoscale and Nanoscale Physics · Physics 2025-09-03 Yi-Cheng Lin , Ken-Ming Lin , Yu-Chang Chen

Motivated by a recent prediction to engineer the dispersion relation of a waveguide constructed from atomic components [arXiv:2104.08121], we explore the possibility to create directional transport in an open, collective quantum system. The…

Quantum Physics · Physics 2022-04-05 R. Gutiérrez-Jáuregui , A. Asenjo-Garcia

Stroboscopic wavepacket basis sets [P. Bokes, F. Corsetti, R. W. Godby, Phys. Rev. Lett. 101, 046402 (2008)] are specifically tailored for a description of time-dependent processes in extended systems like non-periodic geometries of various…

Materials Science · Physics 2019-03-27 P. Bokes

We present a self-consistent quantum optics approach to calculating the surface enhanced Raman spectrum of molecules coupled to arbitrarily shaped plasmonic systems. Our treatment is intuitive to use and provides fresh analytical insight…

Optics · Physics 2017-06-26 Mohsen Kamandar Dezfouli , Stephen Hughes

Gaussian wave packets (GWPs) are well suited as basis functions to describe the time evolution of arbitrary wave functions in systems with nonsingular smooth potentials. They are less so in atomic systems on account of the singular behavior…

Atomic Physics · Physics 2015-05-13 Tomaž Fabčič , Jörg Main , Günter Wunner

The electron transfer between an $F^{-}$ ion and $Cu(111)$ and $Ag(111)$ surfaces is studied by the wave packet propagation method in order to determine specifics of the charge transfer interaction between the negative ion and the metal…

Atomic Physics · Physics 2009-11-07 A. G. Borisov , J. P. Gauyacq , S. V. Shabanov

The WKB equations for dynamics of the surface plasmon polariton (SPP) wavepacket are studied. The dispersion law for the SPP in the metal-dielectric heterostructure with varying thickness of a perforated dielectric layer is rigorously…

Other Condensed Matter · Physics 2015-05-18 V. I. Belotelov , D. A. Bykov , L. L. Doskolovich , A. K. Zvezdin

Ultra-short high-power lasers can deliver extreme light intensities ($\ge 10^{20}$ W/cm$^2$ and $\leq 30 f$s) and drive large amplitude Surface Plasma Wave (SPW) at over-dense plasma surface. The resulting current of energetic electron has…

Plasma Physics · Physics 2021-08-16 S. Marini , P. S. Kleij , F. Amiranoff , M. Grech , C. Riconda , M. Raynaud

The search for new, application-specific quantum computers designed to outperform any classical computer is driven by the ending of Moore's law and the quantum advantages potentially obtainable. Photonic networks are promising examples,…

Quantum Physics · Physics 2018-04-13 B. Opanchuk , L. Rosales-Zárate , M. D. Reid , P. D. Drummond

This paper presents a novel methodology for the direct numerical modeling and simulation of turbulent flows. The kinetic model equation is firstly extended to turbulent flow with the account of coupled evolution of kinetic, thermal, and…

Computational Physics · Physics 2025-03-11 Xiaojian Yang , Kun Xu

Conventional approaches to probing ultrafast molecular dynamics rely on the use of synchronized laser pulses with a well-defined time delay. Typically, a pump pulse excites a wavepacket in the molecule. A subsequent probe pulse can then…

Mesoscale and Nanoscale Physics · Physics 2020-03-27 R. E. F. Silva , Javier del Pino , Francisco J. García-Vidal , Johannes Feist

In pursuance of integrating Wireless Sensor Networks (WSNs) with other systems, the use of techniques from other fields, such as machine learning and information processing, are becoming more common. Therefore, we faced the problem of…

Networking and Internet Architecture · Computer Science 2014-09-04 Gabriel Martins Dias , Boris Bellalta , Simon Oechsner

A model of localized electron wave packets (WPs) with variable position and width (floating and breathing) that are spin-coupled as per the valence-bond theory is presented. It produces accurate potential energy curves of LiH in the ground…

Chemical Physics · Physics 2018-03-07 Koji Ando

Physics-based computational models play a key role in the study of wave propagation for structural health monitoring (SHM) and the development of improved damage detection methodologies. Due to the complex nature of guided waves, accurate…

Classical Physics · Physics 2013-02-27 Luke Borkowski , Kuang Liu , Aditi Chattopadhyay

It is demonstrated by three-dimensional quantum electrodynamics --- particle-in-cell (QED-PIC) simulations that vacuum breakdown wave in the form of QED cascade front can propagate in an extremely intense plane electromagnetic wave. The…

Plasma Physics · Physics 2019-06-28 A. S. Samsonov , E. N. Nerush , I. Yu. Kostyukov

We present a novel scheme for modelling quantum plasmas in the warm dense matter (WDM) regime via a hybrid smoothed particle hydrodynamic - molecular dynamic treatment, here referred to as 'Bohm SPH'. This treatment is founded upon Bohm's…

We develop a quantum landscape approach to characterize the long-time behavior of wave packet spreading in linear open quantum systems. Instead of treating diffusion, localization, and collapse of the wave packet as separate dynamical…

Quantum Physics · Physics 2026-05-18 Kang Xu , Miao-Miao Yi , Zi-Hong Yan , C. P. Sun

Space-time (ST) wave packets are propagation-invariant pulsed optical beams that travel freely in dielectrics at a tunable group velocity without diffraction or dispersion. Because ST wave packets maintain these characteristics even when…

A propagation method for the scattering of a quantum wave packet from a potential surface is presented. It is used to model the quantum reflection of single atoms from a corrugated (metallic) surface. Our numerical procedure works well in…

Quantum Physics · Physics 2018-09-27 E. Galiffi , C. Sünderhauf , M. DeKieviet , S. Wimberger

The quantum dynamics of a simplest dissipative system, a particle moving in a constant external field , is exactly studied by taking into account its interaction with a bath of Ohmic spectral density. We apply the main idea and methods…

High Energy Physics - Theory · Physics 2019-08-17 Sun , C. P , L. H. Yu
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