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Electron-electron ($e$-$e$) and electron-phonon ($e$-ph) interactions are challenging to describe in correlated materials, where their joint effects govern unconventional transport, phase transitions, and superconductivity. Here we combine…

Materials Science · Physics 2024-01-05 David J. Abramovitch , Jin-Jian Zhou , Jernej Mravlje , Antoine Georges , Marco Bernardi

Electric field dynamics at a positive ion imbedded in an electron gas is considered using a semiclassical description. The dependence of the field autocorrelation function on charge number is studied for strong ion-electron coupling via MD…

Statistical Mechanics · Physics 2009-11-07 James Dufty , Ilya Pogorelov , Bernard Talin , Annette Calisti

Time-resolved photoemission experiments can reveal fascinating quantum dynamics of correlated electrons. However, the thermalization of the electronic system is typically so fast that very short probe pulses are necessary to resolve the…

Strongly Correlated Electrons · Physics 2009-09-02 Martin Eckstein , Marcus Kollar

We study the accuracy of analytical wave function based many-body methods derived by energy minimization of a Jastrow-Feenberg ansatz for electrons (`Fermi hypernetted chain / Euler Lagrange' approach). Approximations to avoid the…

Other Condensed Matter · Physics 2019-06-05 Martin Panholzer , Raphael Hobbiger , Helga Böhm

The structural evolution of laser-excited systems of gold has previously been measured through ultrafast MeV electron diffraction. However, there has been a long-standing inability of atomistic simulations to provide a consistent picture of…

Materials Science · Physics 2024-06-19 J. M. Molina , T. G. White

Recent x-ray absorption experiments have demonstrated the possibility to accurately monitor the magnetism of metallic hetero-structures controlled via a time-independent perturbation caused for example by a static electric field. Using a…

Materials Science · Physics 2020-09-16 Alberto Marmodoro , Sebastian Wimmer , Ondrej Sipr , Masako Ogura , Hubert Ebert

Electron dynamics in the bulk and at the surface of solid materials are well known to play a key role in a variety of physical and chemical phenomena. In this article we describe the main aspects of the interaction of low-energy electrons…

Materials Science · Physics 2009-10-31 P. M. Echenique , J. M. Pitarke , E. V. Chulkov , A. Rubio

Many-body functionals of the Green's function can provide fundamental advances in electronic-structure calculations, due to their ability to accurately predict both spectral and thermodynamic properties, such as angle-resolved photoemission…

Strongly Correlated Electrons · Physics 2025-08-26 Tommaso Chiarotti , Matteo Quinzi , Andrea Pintus , Mario Caserta , Andrea Ferretti , Nicola Marzari

An approach is presented which allows a self-consistent description of the fragmentation of single-particle strength for nucleons in finite nuclei employing the Greens function formalism. The self-energy to be considered in the Dyson…

Nuclear Theory · Physics 2009-10-22 H. Müther , L. D. Skouras

In this work we perform electron energy-loss spectroscopy (EELS) of freestanding graphene with high energy and momentum resolution to disentangle the quasielastic scattering from the excitation gap of Dirac electrons close to the optical…

The complex nature of electron-electron correlations is made manifest in the very simple but non-trivial problem of two electrons confined within a sphere. The description of highly non-local correlation and self-interaction effects by…

Other Condensed Matter · Physics 2016-08-16 J. Jung , P. García-González , J. E. Alvarellos , R. W. Godby

The electronic self-energy is studied for a two dimensional electron gas coupled to a spin-orbit Rashba field and interacting with dispersionless phonons. For the case of a momentum independent electron-phonon coupling (Holstein model) we…

Strongly Correlated Electrons · Physics 2009-11-13 E. Cappelluti , C. Grimaldi , F. Marsiglio

Electronic correlations in the ground state of an idealized infinite-layer high-Tc compound are computed using the ab-initio method of local ansatz. Comparisons are made with the local-density approximation (LDA) results, and the…

Superconductivity · Physics 2009-10-31 Gernot Stollhoff

Diffusion of electrons in two-dimensional disordered systems with spin-orbit interactions is investigated numerically. Asymptotic behaviors of the second moment of the wave packet and of the temporal auto-correlation function are examined.…

Condensed Matter · Physics 2009-10-28 Tohru Kawarabayashi , Tomi Ohtsuki

We review the Bethe-Salpeter equation (BSE) approach to the calculation of electronic excitation energies of molecular systems. We recall the general Green's function many-theory formalism and give the working equations of the BSE approach…

Chemical Physics · Physics 2013-04-05 Elisa Rebolini , Julien Toulouse , Andreas Savin

Ab initio calculation of dielectric response with high-accuracy electronic structure methods is a long-standing problem, for which mean-field approaches are widely used and electron correlations are mostly treated via approximated…

Chemical Physics · Physics 2024-06-25 Xiang Li , Yubing Qian , Ji Chen

There is extensive current interest about electronic topology in correlated settings. In strongly correlated systems, contours of Green's function zeros may develop in frequency-momentum space, and their role in correlated topology has…

Strongly Correlated Electrons · Physics 2024-09-05 Chandan Setty , Fang Xie , Shouvik Sur , Lei Chen , Maia G. Vergniory , Qimiao Si

We report extensive self-consistent calculations of jellium surface energies, by going beyond the local-density approximation. The density-response function of a bounded free-electron gas is evaluated within the random-phase approximation,…

Materials Science · Physics 2009-10-31 J. M. Pitarke , A. G. Eguiluz

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

In this paper, we investigate the electron self-energy and effective mass in a single heterostructure using Green-function method. Numerical calculations of the electron self-energy and effective mass for GaAs/AlAs heterostructure are…

Materials Science · Physics 2009-11-07 Xiu-Kun Hua , Yin-Zhong Wu , Zhen-Ya Li