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We present a modification of the $\Delta$SCF method of calculating energies of excited states, in order to make it applicable to resonance calculations of molecules adsorbed on metal surfaces, where the molecular orbitals are highly…

Materials Science · Physics 2009-03-06 Jeppe Gavnholt , Thomas Olsen , Mads Engelund , Jakob Schiøtz

Experiments handling Rydberg atoms near surfaces must necessarily deal with the high sensitivity of Rydberg atoms to (stray) electric fields that typically emanate from adsorbates on the surface. We demonstrate a method to modify and reduce…

A method is developed for generating pseudopotentials for use in correlated-electron calculations. The paradigms of shape and energy consistency are combined and defined in terms of correlated-electron wave-functions. The resulting energy…

Materials Science · Physics 2017-05-26 John R. Trail , Richard J. Needs

Porous electrodes{made of hierarchically nanostructured materials{are omnipresent in various electrochemical energy technologies from batteries and supercapacitors to sensors and electrocatalysis. Modeling the system-level macroscopic…

Applied Physics · Physics 2022-02-03 Anis Allagui , Hachemi Benaoum

Variational analysis techniques in lattice QCD are powerful tools that give access to the excited state spectrum of QCD. At zero momentum, these techniques are well established and can cleanly isolate energy eigenstates of either positive…

High Energy Physics - Lattice · Physics 2017-01-26 Finn M. Stokes , Waseem Kamleh , Derek B. Leinweber , Benjamin J. Owen

The asymmetric magnetization reversal is studied in a single exchange-biased microbar of 1.5 x 13 micrometer with anisotropic magnetoresistance and magnetic force microscopy. The particle has a moment of less than 10^-9 emu and is not…

Materials Science · Physics 2009-11-13 T. Gredig , M. Tondra

The stability and axisymmetric deformation of two immiscible, viscous, perfect or leaky dielectric fluids confined in the annulus between two concentric cylinders are studied in the presence of radial electric fields. The fields are set up…

Fluid Dynamics · Physics 2020-07-08 Qiming Wang , Demetrios T. Papageorgiou

We obtained the spectral function of very high quality natural graphite single crystals using angle resolved photoelectron spectroscopy (ARPES). A clear separation of non-bonding and bonding bands and asymmetric lineshape are observed. The…

Strongly Correlated Electrons · Physics 2009-11-13 C. S. Leem , B. J. Kim , Chul Kim , S. R. Park , T. Ohta , A. Bostwick , E. Rotenberg , H. -D. Kim , M. K. Kim , H. J. Choi , C. Kim

The electron energy distribution function (EEDF) in low-temperature plasmas exhibits features not fully captured by classical collisional models, particularly across the transition from kinetic to hydrodynamic regimes. This work attributes…

Plasma Physics · Physics 2025-07-16 Joel Saucedo , Uday Lamba , Hasitha Mahabaduge

High-power electron beams are sought-after tools in support to a wide array of societal applications. This paper investigates the production of high-power electron beams by combining a high-current field-emission electron source to a…

Accelerator Physics · Physics 2018-12-26 O. Mohsen , I. Gonin , R. Kephart , T. Khabiboulline , P. Piot , N. Solyak , J. C. Thangaraj , V. Yakovlev

Dislocations are one-dimensional (1D) topological line defects where the lattice deviates from the perfect crystal structure. The presence of dislocations transcends condensed matter research and gives rise to a diverse range of emergent…

We develop Electrochemical Mean-Field Kinetic Equations (EMFKE) to simulate electrochemical cells. We start from a microscopic lattice-gas model with charged particles, and build mean-field kinetic equations following the lines of earlier…

Materials Science · Physics 2009-11-10 Marc-Olivier Bernard , Mathis Plapp , Jean-Francois Gouyet

Our formalism described recently in (Dolby et al, hep-th/0103228) is applied to the study of particle creation in spatially uniform electric fields, concentrating on the cases of a time-invariant electric field and a so-called `adiabatic'…

High Energy Physics - Theory · Physics 2015-06-26 Carl E. Dolby , Stephen F. Gull

We derive from a microscopic Hamiltonian a set of stochastic equations of motion for a system of spinless charged particles in an electromagnetic (EM) field based on a consistent application of a dimensionful 1/c expansion of quantum…

Quantum Physics · Physics 2012-06-05 C. H. Fleming , P. R. Johnson , B. L. Hu

Paired electrolysis at industrial current densities offers an energy-efficient and sustainable alternative to thermocatalytic chemical synthesis by leveraging anodic and cathodic valorization. However, its industrial feasibility remains…

In this work, we study the behavior of elementary electromagnetic sources, i.e., point-like electric charges and intrinsic magnetic dipoles, in the presence of homogeneous electromagnetic fields in a classical and covariant setting. We show…

Classical Physics · Physics 2025-08-26 Ivanina Ilieva , Carsten Rockstuhl , Ivan Fernandez-Corbaton

Achieving atomic resolution in electron microscopy has historically been hindered by spherical aberration, a fundamental limitation of conventional electron lenses. Its correction typically requires complex assemblies of electromagnetic…

In the last decade, there has been a surge of experiments showing that certain chemical reactions undergo an enormous boost when taken from bulk aqueous conditions to microdroplet environments. The microscopic basis of this phenomenon…

Electron paramagnetic resonance (EPR) spectroscopy is an important technology in physics, chemistry, materials science, and biology. Sensitive detection with a small sample volume is a key objective in these areas, because it is crucial,…

Discovery of material properties at extremes, which are essential for high energy density physics development, requires the most advanced experimental facilities, theories, and computations. Nowadays it is possible to model properties of…

Plasma Physics · Physics 2023-02-28 A. S. Polyukhin , S. A. Dyachkov , P. R. Levashov
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