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We present an investigation into diffusion models for molecular generation, with the aim of better understanding how their predictions compare to the results of physics-based calculations. The investigation into these models is driven by…

Ultrafast laser measurements probe the non-equilibrium dynamics of excited electrons in metals with increasing temporal resolution. Electronic structure calculations can provide a detailed microscopic understanding of hot electron dynamics,…

Computational Physics · Physics 2016-08-12 Ana M. Brown , Ravishankar Sundararaman , Prineha Narang , William A. Goddard , Harry A. Atwater

Dielectric measurements on molecular liquids just above the glass transition indicate that alpha relaxation is characterized by a generic high-frequency loss varying as $\omega^{-1/2}$, whereas deviations from this come from one or more…

Soft Condensed Matter · Physics 2009-11-11 Jeppe C. Dyre

The critical point in particle physics at high temperature is studied through the ideal gas of scalars, the dilatons, in the model that implies the spontaneous breaking of an approximate scale symmetry. We consider the dynamical system of…

High Energy Physics - Phenomenology · Physics 2019-12-10 G. A. Kozlov

Online reconstruction is key for monitoring purposes and real time analysis in High Energy and Nuclear Physics experiments. A necessary component of reconstruction algorithms is particle identification that combines information left by a…

Instrumentation and Detectors · Physics 2026-01-13 Richard Tyson , Gagik Gavalian

Differential cross sections are computed for the title polar molecule using static interaction, exchange forces and correlation-polarisation effects as described in detail in the main text. The dipole effect is also reported via the dipole…

Chemical Physics · Physics 2009-11-13 F. A. Gianturco , T. Stoecklin

The accurate calculation of excited state properties of interacting electrons in the condensed phase is an immense challenge in computational physics. Here, we use state-of-the-art equation-of-motion coupled-cluster theory with single and…

Chemical Physics · Physics 2019-07-10 Alan M. Lewis , Timothy C. Berkelbach

The elliptic flows of thermal di-electrons are investigated within a (2+1)-dimension event-by-event hydrodynamic model for Au+Au collisions at $\sqrt{s_{NN}}=200$ GeV. The fluctuating initial conditions are given by the Monte Carlo Glauber…

High Energy Physics - Phenomenology · Physics 2015-09-15 Hao-jie Xu , Longgang Pang , Qun Wang

This paper proposes a method for studying the early stages of the cavitation development in arbitrary, non-stationary conditions. This method is based on the comparison of the results of calculations in the framework of a theoretical model…

Fluid Dynamics · Physics 2014-04-02 M. N. Shneider , M. Pekker

Double excitations are crucial to understanding numerous chemical, physical, and biological processes, but accurately predicting them remains a challenge. In this work, we explore the particle-particle random phase approximation (ppRPA) as…

Chemical Physics · Physics 2024-11-26 Jincheng Yu , Jiachen Li , Tianyu Zhu , Weitao Yang

In this work the explicit solution of the electronic plasma diffusion with radiation reaction force, under the action of an exponential decay external electric field is given. The electron dynamics is described by a classical generalized…

In this work we compare Monte Carlo (MC) simulations of electron transport properties with reflection electron energy loss measurements in diamond and graphite films. We assess the impact of different approximations of the dielectric…

Thermodynamic properties of the electron-positron plasma (or gas) at high and very high temperatures are investigated. To achieve this goal we have derived a number of analytical formulas for the Fermi-Dirac distribution functions (or…

Plasma Physics · Physics 2023-01-16 Alexei M. Frolov

Warm dense matter (WDM) is an exotic state on the border between condensed matter and dense plasmas. Important occurrences of WDM include dense astrophysical objects, matter in the core of our Earth, as well as matter produced in strong…

Plasma Physics · Physics 2021-02-24 Paul Hamann , Jan Vorberger , Tobias Dornheim , Zhandos Moldabekov , Michael Bonitz

The analysis of fields in periodic dielectric structures arise in numerous applications of recent interest, ranging from photonic bandgap (PBG) structures and plasmonically active nanostructures to metamaterials. To achieve an accurate…

Computational Physics · Physics 2012-11-22 Andrew D. Baczewski , Nicholas C. Miller , Balasubramaniam Shanker

The correlation energy of the homogeneous three-dimensional interacting electron gas is calculated using the variational and fixed-node diffusion Monte Carlo methods, with trial functions that include backflow and three-body correlations.…

Strongly Correlated Electrons · Physics 2009-10-31 Yongkyung Kwon , D. M. Ceperley , Richard M. Martin

Multiple interaction models satisfying $s$-channel unitarity predict that, in contrast to inelastic processes, factorization is violated in diffractive processes. The size of this effect can be characterized in terms of the rapidity gap…

High Energy Physics - Phenomenology · Physics 2007-05-23 F. W. Bopp , R. Engel , J. Ranft , A. Rostovtsev

We describe a variational procedure for calculating the energy of an electron gas in which the long-range Coulomb interaction is truncated by the screening effect of a nearby metallic gate. We use this procedure to compute the quantum…

Mesoscale and Nanoscale Physics · Physics 2010-11-15 Brian Skinner , M. M. Fogler

The spectral representation is an effecient tool to explore electrical properties of material mixtures. It separates the contributions of geometrical topology and intrinsic properties of the constituents in the system. The aim of this paper…

Materials Science · Physics 2007-05-23 Enis Tuncer

A quantum-mechanical model to calculate the electron energy-loss spectra (EELS) for the system of a closely located metallic nanoshell and a molecule has been developed. At the resonance between the molecular excitation and plasmon modes in…

Atomic Physics · Physics 2014-10-07 I. Yu. Goliney , Ye. V. Onykienko