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相关论文: Correlation energy of an electron gas: a functiona…

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We use continuum mechanics [Tao \emph{et al}, PRL{\bf 103},086401] to approximate the dynamic density response of interacting many-electron systems. Thence we develop a numerically efficient exchange-correlation energy functional based on…

介观与纳米尺度物理 · 物理学 2012-08-28 Tim Gould , John F. Dobson

The time-dependent exchange-correlation potential has an unusual task in directing fictitious non-interacting electrons to move with exactly the same probability density as true interacting electrons. This has intriguing implications for…

化学物理 · 物理学 2024-06-19 Davood Dar , Lionel Lacombe , Neepa T. Maitra

We present an \emph{Effective Static Approximation} (ESA) to the local field correction (LFC) of the electron gas that enables highly accurate calculations of electronic properties like the dynamic structure factor $S(q,\omega)$, the static…

From a simplified version of the mathematical structure of the strong coupling limit of the exact exchange-correlation functional, we construct an approximation for the electronic repulsion energy at physical coupling strength, which is…

化学物理 · 物理学 2017-05-11 Stefan Vuckovic , Paola Gori-Giorgi

Starting from the general expression for the ground state correlation energy in the adiabatic connection fluctuation dissipation theorem (ACFDT) framework, it is shown that the dielectric matrix formulation, which is usually applied to…

化学物理 · 物理学 2016-04-25 Bastien Mussard , Dario Rocca , Georg Jansen , Janos Angyan

In this paper, we present the rigorous expression of the ground state energy and study the phase transition of the three-dimensional homogeneous electron gas by the eigenfunctional theory. The ground state energy is decided completely by…

强关联电子 · 物理学 2015-03-17 Yu Zhi-Ming , Wang Qing-Wei , Liu Yu-Liang

The adiabatic connection formula of ground-state density functional theory relates the correlation energy to a coupling-constant integral over a purely potential contribution, and is widely used to understand and improve approximations. The…

化学物理 · 物理学 2016-06-01 Aurora Pribram-Jones , Kieron Burke

The dynamical response theory is used to obtain an analytical expression for the exchange energy of a quantum wire for arbitrary polarization and width. It reproduces the known form of exchange energy for 1D electron gas in the limit of…

强关联电子 · 物理学 2020-02-26 Vinod Ashokan , Renu Bala , Klaus Morawetz , Kare N. Pathak

We formulate an adiabatic connection for the exchange-correlation energy in terms of pairing matrix fluctuation. This connection opens new channels for density functional approximations based on pairing interactions. Even the simplest…

化学物理 · 物理学 2015-06-16 Helen van Aggelen , Yang Yang , Weitao Yang

The two-dimensional (2D) homogeneous electron gas (HEG) is a fundamental model in quantum many-body physics. It is important to theoretical and computational studies, where exchange-correlation energies computed in it serve as the…

强关联电子 · 物理学 2025-01-17 Yiqi Yang , Yubo Yang , Kun Chen , Miguel A. Morales , Shiwei Zhang

The condensation energy of the homogeneous electron gas is calculated within the density functional theory for superconductors. Purely electronic considerations include the exchange energy exactly and the correlation energy on a level of…

超导电性 · 物理学 2013-04-02 M. Wierzbowska , J. W. Krogh

We calculate the dynamic effective electron-electron interaction potential for a low density disordered two-dimensional electron gas. The disordered response function is used to calculate the effective potential where the scattering rate is…

强关联电子 · 物理学 2009-10-31 J. S. Thakur , D. Neilson

A theoretical description of time correlation functions for electron properties in the presence of a positive ion of charge number Z is given. The simplest case of an electron gas distorted by a single ion is considered. A semi-classical…

统计力学 · 物理学 2009-11-13 Jeffrey M. Wrighton , James W. Dufty

We report an analytical representation of the correlation energy ec(rs, zeta) for a uniform electron gas (UEG), where rs is the Seitz radius or density parameter and zeta is the relative spin polarization. The new functional, called W20, is…

化学物理 · 物理学 2021-01-27 Qing-Xing Xie , Jiashun Wu , Yan Zhao

A simple exact-exchange density-functional method for a quasi-two-dimensional electron gas with variable density is presented. An analytical expression for the exact-exchange potential with only one occupied subband is provided, without…

凝聚态物理 · 物理学 2009-11-07 F. A. Reboredo , C. R. Proetto

We propose a simple and accurate model for the electron static structure factors (and corresponding pair-correlation functions) of the 3D unpolarized homogeneous electron gas. Our spin-resolved pair-correlation function is built up with a…

凝聚态物理 · 物理学 2009-10-31 Paola Gori-Giorgi , Francesco Sacchetti , Giovanni B. Bachelet

We show an application of the functional-renormalization-group aided density functional theory to the homogeneous electron gas with arbitrary spin polarization, which gives the energy density functional in the local spin density…

强关联电子 · 物理学 2022-01-12 Takeru Yokota , Tomoya Naito

Correlation functions measured as a function of $\Delta \eta, \Delta \phi$ have emerged as a powerful tool to study the dynamics of particle production in nuclear collisions at high energy. They are however subject, like any other…

核实验 · 物理学 2014-02-26 Shantam Ravan , Prabhat Pujahari , Sidharth Prasad , Claude A. Pruneau

Motivated by the considerable importance of material properties in modern condensed matter physics research, and using techniques of the $N_{e}$ -electron systems in terms of the electron density $n_{\sigma e}\left( r\right) $ needed to…

材料科学 · 物理学 2024-07-19 A. Belhaj , S. E. Ennadifi

We show that the expression of the high-density (i.e small-$r_s$) correlation energy per electron for the one-dimensional uniform electron gas can be obtained by conventional perturbation theory and is of the form $\Ec(r_s) = -\pi^2/360 +…

强关联电子 · 物理学 2013-08-19 Pierre-François Loos