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We studied the electron dynamic correlation using inelastic X-ray scattering measurements. The data files contain a 2D array of numeric data that is used to produce the figures in the paper, "Observation of Real-space Dynamic Electron Correlation in Beryllium."
One of the central challenges in condensed matter physics is to comprehend systems that have strong disorder and strong interactions. In the strongly localized regime, their subtle competition leads to glassy electron dynamics which ceases to exist well before the insulator-to-metal transition is approached as a function of doping. Here, we report on the discovery of glassy electron dynamics deep inside the good metal regime of an electron-doped quantum paraelectric system: KTaO 3 . We reveal that upon excitation of electrons from defect states to the conduction band, the excess injected carriers in the conduction band relax in a stretched exponential manner with a large relaxation time, and the system evinces simple aging phenomena—a telltale sign of glassy dynamics. Most significantly, we observe a critical slowing down of carrier dynamics below 35 K, concomitant with the onset of quantum paraelectricity in the undoped KTaO 3 . Our combined investigation using second harmonic generation technique, density functional theory and phenomenological modeling demonstrates quantum fluctuation-stabilized soft polar modes as the impetus for the glassy behavior. This study addresses one of the most fundamental questions regarding the potential promotion of glassiness by quantum fluctuations and opens a route for exploring glassy dynamics of electrons in a well-delocalized regime.
This paper describes an empirical study of the basic mechanisms by which electrons precipitate from the geomagnetic field to produce 'auroral X rays' during periods of geomagnetic activity. The study was based on data obtained by the Echo satellites. Echo I, launched in 1970, injected 40 keV, 0.1 amp electron pulses at low latitude (L ? 2.6) and successfully measured the returning pulses from the conjugate region. Electric fields and multiple Coulomb scattering were studied. Echo II, launched in 1972 from high latitude (L ? 8) studied the interaction of the beams with background radiation and the detailed motion of the beams near the rocket. Evidence for a beam plasma instability was obtained. Echo III launched in April 1974, (L ? 5.5) detected a series of conjugate echoes during the presence of a strong convective field in the magnetosphere. It was shown that the electric field measurement in the ionosphere using the incoherent backscatter radar and detectors on the rocket was transferred to the equatorial plane as though field lines were equipotentials.
The Electron Echo experiments are described which were conducted with three sounding rockets to study the basic mechanisms by which electrons precipitate from the geomagnetic field to produce auroral X-rays during periods of geomagnetic activity. Echo I (1970) injected electron pulses at low latitude and successfully measured the returning pulses from the conjugate region. Echo II (1972) was launched from high latitude, studied the interaction of electron beams with background radiation as well as beam motion near the rocket, and obtained evidence for a beam plasma instability. Echo III (1974) detected a series of conjugate echoes during the presence of a strong convective field in the magnetosphere and conducted an unsuccessful search for beam bunching at the local plasma frequency. It is shown that the electric field measurement in the ionosphere, using incoherent backscatter radar and detectors on the rocket, was transferred to the equatorial plane as though field lines were equipotentials.
The relaxation dynamics of hot electrons in the X6 and X7 satellite and upper conduction bands in GaP was directly measured by femtosecond UV-pump-IR-probe absorption spectroscopy. From a fit to the induced IR-absorption spectra the dominant scattering mechanism giving rise to the absorption at early delay times was determined to be intervalley scattering of electrons out of the X7 upper conduction-band valley. For long delay times the dominant scattering mechanism is electron-hole scattering. Electron transport dynamics of the upper conduction band of GaP has been time resolved.
The behavior of the dynamical electron correlation energy is remarkably complex at short internuclear distances: Δ E DEC (Δ R ) = E DEC (Δ R ) − E DEC ( R = ∞) with Δ R = R − R e .
Rapid X-ray ionization of a core electron is known to induce the attosecond motion of valence electrons; however, the effect of core-hole shape on the triggered dynamics remains relatively unknown. In this work, the sub-four fs response of prototypical functionalized/heterocyclic/polycyclic molecules was simulated using real-time time-dependent density functional theory (RT-TDDFT), a sudden approximation core-hole, and phenomenologically Auger–Meitner (AM) decay. These molecules included fluorobenzene, chlorobenzene, bromobenzene, phenol, thiophenol, pyridine, phosphorus, and azulene. It is observed that the valence electron dynamics are essentially independent of the core-hole created, provided that it is ionized from an inner-shell orbital and not an inner-valence orbital. This has broad implications for free-electron laser studies of X-ray pumped attosecond processes since the flexibility in edge allows for a wide range of experimental modalities, core-holes with longer AM lifetimes, and molecular targets.
The rapidly expanding field of polaritonic chemistry requires accurate theoretical simulations to understand new phenomena at the atomic scale. Computing the optoelectronic properties of molecules using established electronic structure methods is a careful balance of accuracy and computational expense, and expanding these methods to quantum electrodynamics to describe coupled cavity-molecule systems is an active topic of development. Key to these methods are the Hamiltonian operators representing the photon cavity modes. The recently introduced quantum electrodynamics time-dependent configuration interaction (QED-TDCI) method allows for the combination of electron dynamics simulations with quantum electrodynamics, enabling the simulation of time-dependent optoelectronic properties of cavity-molecule systems. Using this method, a comparison of two many-state QED Hamiltonians—the Pauli-Fierz and quantum Rabi model Hamiltonians—is presented, with a particular focus on time-dependent properties in applied electric fields.
The project aimed to drive strong-field excitation of bound electronic coherences in gas-phase atoms and molecules using a novel source of near-single-cycle optical field transients, based on industrial-grade Yb:solid-state laser technology. Key objectives included generating near-single cycle field transients and isolated attosecond pulses, reconstructing time-dependent wave packets in atoms and molecules, probing their decoherence using attosecond interferometry, and controlling the dynamic evolution of systems on attosecond to few-femtosecond timescales. A secondary goal of the project was to develop field-resolved measurement platforms as a novel approach for studying electron dynamics in atomic and molecular systems.
Recent observations in the Earth's magnetotail have shown rapid increases in the fluxes of energetic electrons with energies up to 100's of keV associated with dipolarization fronts that propagate into the inner magnetosphere. On August 15, 2001 the four Cluster spacecraft located slightly dawnward of midnight (yGSM approx. -5.4RE) at xGSM approx. -18RE observed a series of earthward propagating dipolarization fronts [Hwang et al., 2010]. At least 6 dipolarization fronts were observed in a 20m interval. Unlike previously reported cases the fluxes of electrons up to 95keV decreased during the passage of the first three fronts over the spacecraft. The energetic electron fluxes increased during the passage of the last three fronts. We have performed a global magnetohydrodynamic simulation of this event using solar wind observations from the ACE satellite to drive the simulation. In the simulation a very complex reconnection system in the near-Earth tail at XGSM approx. -20RE launched a series of earthward propagating dipolarization fronts that are similar to those observed on Cluster. The simulation results indicate that the Cluster spacecraft were just earthward of the reconnection site. In this paper we will present a study of the dynamics of electrons associated with these events by using the large-scale kinetic simulation approach in which we launch a large number of electrons into the electric and magnetic fields from this simulation.
The goal of this research has been to study the effects of electrons on magnetotail dynamics and current sheet structure. The approach is to follow ion trajectories in a global model of the magnetotail, use a Boltzmann approximation to include electrons, and then to update the field model according to the currents that are generated by the cross-tail electric field and/or induced fields. Parallel (and perpendicular) electric fields that form are included through the Boltzmann relation. Transverse electron currents are to be included through adiabatic drift equations.
Here, we present the theory, implementation, and benchmarking of a real-time time-dependent density functional theory (RT-TDDFT) module within the RMG code, designed to simulate the electronic response of molecular systems to external perturbations. Our method offers insights into nonequilibrium dynamics and excited states across a diverse range of systems, from small organic molecules to large metallic nanoparticles. Benchmarking results demonstrate excellent agreement with established TDDFT implementations and showcase the superior stability of our time integration algorithm, enabling long-term simulations with minimal energy drift. The scalability and efficiency of RMG on massively parallel architectures allow for simulations of complex systems, such as plasmonic nanoparticles with thousands of atoms. Future extensions, including nuclear and spin dynamics, will broaden the applicability of this RT-TDDFT implementation, providing a powerful toolset for studies of photoactive materials, nanoscale devices, and other systems where real-time electronic dynamics is essential.
Acceleration of radiation belt electrons driven by oblique large-amplitude whistler waves is studied. We show analytically and numerically that this is a stochastic process; the intensity of which depends on the wave power modified by Bessel functions. The type of this dependence is determined by the character of the nonlinear interaction due to coupling between action and phase. The results show that physically significant quantities have a relatively weak dependence on the wave power.
Consider the problem of determining the optimal applied electric field to drive a molecule from an initial state to a desired target state. For even moderately sized molecules, solving this problem directly using the exact equations of motion—the time-dependent Schrödinger equation (TDSE)—is numerically intractable. Here, we present a solution of this problem within time-dependent Hartree-Fock (TDHF) theory, a mean field approximation of the TDSE. Optimality is defined in terms of minimizing the total control effort while maximizing the overlap between desired and achieved target states. We frame this problem as an optimization problem constrained by the nonlinear TDHF equations; we solve it using trust region optimization with gradients computed via a custom-built adjoint state method. For three molecular systems, we show that with very small neural network parametrizations of the control, our method yields solutions that achieve desired targets within acceptable constraints and tolerances.
Linear and nonlinear electron damping of the whistler precursor wave train to low Mach number quasi-perpendicular oblique shocks is studied using a one-dimensional electromagnetic plasma simulation code with particle electrons and ions. In some parameter regimes, electrons are observed to trap along the magnetic field lines in the potential of the whistler precursor wave train. This trapping can lead to significant electron heating in front of the shock for low beta(e). Use of a 64-processor hypercube concurrent computer has enabled long runs using realistic mass ratios in the full particle in-cell code and thus simulate shock parameter regimes and phenomena not previously studied numerically.
The question of whether the microscale controls the macroscale or vice-versa remains one of the most challenging problems in plasmas. A particular topic of interest within this context is collisionless magnetic reconnection, where both points of views are espoused by different groups of researchers. This presentation will focus on this topic. We will begin by analyzing the properties of electron diffusion region dynamics both for guide field and anti-parallel reconnection, and how they can be scaled to different inflow conditions. As a next step, we will study typical temporal variations of the microscopic dynamics with the objective of understanding the potential for secular changes to the macroscopic system. The research will be based on a combination of analytical theory and numerical modeling.
The question of whether the microscale controls the macroscale or vice-versa remains one of the most challenging problems in plasmas. A particular topic of interest within this context is collisionless magnetic reconnection, where both points of views are espoused by different groups of researchers. This presentation will focus on this topic. We will begin by analyzing the properties of electron diffusion region dynamics both for guide field and anti-parallel reconnection, and how they can be scaled to different inflow conditions. As a next step, we will study typical temporal variations of the microscopic dynamics with the objective of understanding the potential for secular changes to the macroscopic system. The research will be based on a combination of analytical theory and numerical modeling.