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相关论文: Screened second-order exchange in the uniform elec…

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With increasing inter-electronic distance, the screening of the electron-electron interaction by the presence of other electrons becomes the dominant source of electron correlation. This effect is described by the random phase approximation…

化学物理 · 物理学 2022-09-29 Arno Förster

We propose a simple dynamic exchange-correlation kernel of the uniform electron gas. We model the reduction of the electron-electron interaction due to short-range exchange-correlation effects by introducing a frequency-dependent…

材料科学 · 物理学 2009-11-13 Lucian A. Constantin , J. M. Pitarke

The random-phase approximation with second-order screened exchange (RPA+SOSEX) is a model of electron correlation energy with two caveats: its accuracy depends on an arbitrary choice of mean field, and it scales as $\mathcal{O}(n^5)$…

材料科学 · 物理学 2014-01-16 Jonathan E. Moussa

The random phase approximation (RPA) systematically overestimates the magnitude of the correlation energy and generally underestimates cohesive energies. This originates in part from the complete lack of exchange terms, which would…

材料科学 · 物理学 2018-12-12 Felix Hummel , Andreas Grüneis , Georg Kresse , Paul Ziesche

We present a renormalized second-order perturbation theory (rPT2), based on a Kohn-Sham (KS) reference state, for the electron correlation energy that includes the random-phase approximation (RPA), second-order screened exchange (SOSEX),…

其他凝聚态物理 · 物理学 2013-01-11 Xinguo Ren , Patrick Rinke , Gustavo E. Scuseria , Matthias Scheffler

A dynamical model of the dielectric screening of conjugated polymers is introduced and solved using the density matrix renormalization group method. The model consists of a line of quantized dipoles interacting with a polymer chain. The…

强关联电子 · 物理学 2009-11-10 William Barford , Robert Bursill , David Yaron

According to time-dependent density functional theory, the exact exchange-correlation kernel f$_{xc}$(n, q, $\omega$) determines not only the ground-state energy but also the excited-state energies/lifetimes and time-dependent linear…

化学物理 · 物理学 2020-07-01 Adrienn Ruzsinszky , Niraj K. Nepal , J. M. Pitarke , John P. Perdew

We present a screened exact-exchange (SXX) method for the efficient and accurate calculation of the optical properties of solids, where the screening is achieved through the zero-wavevector limit of the inverse dielectric function. The SXX…

材料科学 · 物理学 2015-01-23 Zeng-hui Yang , Francesco Sottile , Carsten A. Ullrich

The correlation energy of the homogeneous electron gas is evaluated by solving the Bethe-Salpeter equation (BSE) beyond the Tamm-Dancoff approximation for the electronic polarisation propagator. The BSE is expected to improve upon the…

材料科学 · 物理学 2016-06-15 Emanuele Maggio , Georg Kresse

We study the spin dynamics in the presence of impurity and electron-electron (e-e) scattering in a III-V semiconductor quantum well with arbitrary spin-orbit coupling (SOC) strength and symmetry at finite temperature. We derive the coupled…

无序系统与神经网络 · 物理学 2015-06-11 Xin Liu , Jairo Sinova

The one solitary boson exchange potential (OSBEP) is used to evaluate observables of NN elastic scattering below pion threshold. In this approach, we use a nonlinear model of self-interacting mesons as a substitution for the commonly used…

核理论 · 物理学 2008-11-26 L. Jaede , H. V. von Geramb

We introduce a new paradigm for one-dimensional uniform electron gases (UEGs). In this model, $n$ electrons are confined to a ring and interact via a bare Coulomb operator. We use Rayleigh-Schr\"odinger perturbation theory to show that, in…

强关联电子 · 物理学 2013-08-19 Pierre-François Loos , Peter M. W. Gill

A simple approximate expression in real and reciprocal spaces is given for the static exchange-correlation kernel of a uniform electron gas interacting with the long-range part only of the Coulomb interaction. This expression interpolates…

材料科学 · 物理学 2009-11-11 Julien Toulouse

In this work we include electron-electron interaction beyond Hartree-Fock level in our non-equilibrium Green's function approach by a crude form of GW through the Single Plasmon Pole Approximation. This is achieved by treating all…

介观与纳米尺度物理 · 物理学 2016-05-02 David O. Winge , Martin Franckié , Claudio Verdozzi , Andreas Wacker , Mauro F. Pereira

The most widely-used density functionals for the exchange-correlation energy are inexact for one-electron systems. Their self-interaction errors can be severe in some applications. The problem is not only to correct the self-interaction…

化学物理 · 物理学 2009-11-10 Stephan Kümmel , John P. Perdew

We introduce a new paradigm for finite and infinite strict-one-dimensional uniform electron gases. In this model, $n$ electrons are confined to a ring and interact via a bare Coulomb operator. In the high-density limit (small-$r_s$, where…

强关联电子 · 物理学 2012-08-15 Pierre-François Loos , Peter M. W. Gill

The nonperturbative kinetic framework for the stopping power of a charged-particle system for swift point projectiles is implemented. The pair-interaction potential energy required in this framework to two-body elastic scattering is based…

量子气体 · 物理学 2021-12-13 I. Nagy , I. Aldazabal

As shown by Overhauser and others, the pair-distribution function $g(r)$ of a many-electron system may be found by solving a two-electron scattering problem with an effective screened electron-electron repulsion $V(r)$. We propose a simple…

材料科学 · 物理学 2009-11-10 Maria Corona , Paola Gori-Giorgi , John P. Perdew

We show how to describe Coulomb renormalization effects and dielectric screening in semiconductors and semiconductor nanostructures within a first-principles density-matrix description. Those dynamic variables and approximation schemes…

材料科学 · 物理学 2009-11-07 Ulrich Hohenester

We study screening properties of the two-dimensional electron gas with Rashba spin-orbit coupling. Calculating the dielectric function within the random phase approximation, we describe the new features of screening induced by spin-orbit…

介观与纳米尺度物理 · 物理学 2007-05-23 M. Pletyukhov , V. Gritsev
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