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相关论文: Analytical expressions for the spin-spin local-fie…

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We present an analytical expression for the static many-body local field factor $G_{+}(q)$ of a homogeneous two-dimensional electron gas, which reproduces Diffusion Monte Carlo data and embodies the exact asymptotic behaviors at both small…

强关联电子 · 物理学 2009-11-07 B. Davoudi , M. Polini , G. F. Giuliani , M. P. Tosi

We present an analytical expression for the local field factor G(q) of the homogeneous electron gas which reproduces recently published Quantum Monte--Carlo data by S. Moroni, D.M. Ceperley, and G. Senatore [Phys. Rev. Lett. 75, 689…

凝聚态物理 · 物理学 2009-10-31 Massimiliano Corradini , Rodolfo Del Sole , Giovanni Onida , Maurizia Palummo

Analytic mathematical models for the static spin ($G_-$) and density ($G_+$) local field factors for the uniform electron gas (UEG) as functions of wavevector and density are presented. These models closely fit recent quantum Monte Carlo…

强关联电子 · 物理学 2023-06-14 Aaron D. Kaplan , Carl A. Kukkonen

Based on exact limits and quantum Monte Carlo simulations, we obtain, at any density and spin polarization, an accurate estimate for the energy of a modified homogeneous electron gas where electrons repel each other only with a long-range…

材料科学 · 物理学 2009-11-11 Simone Paziani , Saverio Moroni , Paola Gori-Giorgi , Giovanni B. Bachelet

We derive approximate expressions for the static local field factors of a spin polarized two-dimensional electron gas which smoothly interpolate between their small- and large-wavevector asymptotic limits. For the unpolarized electron gas,…

强关联电子 · 物理学 2009-11-07 Juana Moreno , D. C. Marinescu

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 use spin-density functional theory to obtain novel expressions for the charge and spin local-field factors of an electron gas in terms of its electron-pair structure factors. These expressions (i) satisfy the compressibility and spin…

强关联电子 · 物理学 2009-11-07 B. Davoudi , M. Polini , M. P. Tosi

The high frequency limits of the singular component $A(\omega)$ of the small wavevector expansion of the longitudinal (L) and transverse (T) components of the spin-resolved exchange-correlation kernel tensor $f_{xc,\sigma…

强关联电子 · 物理学 2009-11-10 Zhixin Qian

Based on its known exact properties and a new set of extensive fixed-node reptation quantum Monte Carlo simulations (both with and without backflow correlations, which in this case turn out to yield negligible improvements), we propose a…

强关联电子 · 物理学 2009-11-10 Paola Gori-Giorgi , Saverio Moroni , Giovanni B. Bachelet

The effective electron-electron interaction in the electron gas depends on both the density and spin local field factors. Variational Diagrammatic Quantum Monte Carlo calculations of the spin local field factor are reported and used to…

量子气体 · 物理学 2021-01-27 Carl A. Kukkonen , Kun Chen

The dynamical exchange-correlation kernel $f_{xc}$ of a non-uniform electron gas is an essential input for the time-dependent density functional theory of electronic systems. The long-wavelength behavior of this kernel is known to be of the…

材料科学 · 物理学 2009-11-13 V. U. Nazarov , G. Vignale , Y. -C. Chang

An accurate analytical parametrization for the exchange-correlation free energy of the homogeneous electron gas, including interpolation for partial spin-polarization, is derived via thermodynamic analysis of recent restricted path integral…

化学物理 · 物理学 2015-06-17 Valentin V. Karasiev , Travis Sjostrom , James Dufty , S. B. Trickey

Spin correlations in an interacting electron liquid are studied in the high-frequency limit and in both two and three dimensions. The third-moment sum rule is evaluated and used to derive exact limiting forms (at both long- and…

强关联电子 · 物理学 2009-11-10 G. S. Atwal , N. W. Ashcroft

We use variational quantum Monte Carlo to calculate the density-functional exchange-correlation hole n_{xc}, the exchange-correlation energy density e_{xc}, and the total exchange-correlation energy E_{xc}, of several electron gas systems…

材料科学 · 物理学 2009-10-31 Maziar Nekovee , W. M. C. Foulkes , R. J. Needs

In a recent Letter [T. Dornheim et al., Phys. Rev. Lett. 121, 255001 (2018)] we have presented the first ab initio results for the dynamic structure factor $S(\mathbf{q},\omega)$ of the uniform electron gas for conditions ranging from the…

等离子体物理 · 物理学 2019-06-19 Simon Groth , Tobias Dornheim , Jan Vorberger

We have studied the spin-polarized three-dimensional homogeneous electron gas using the diffusion quantum Monte Carlo method, with trial wave functions including backflow and three-body correlations in the Jastrow factor, and we have used…

强关联电子 · 物理学 2013-08-28 G G Spink , R J Needs , N D Drummond

We use the now well known spin-unpolarized exchange-correlation energy E_{xc} of the uniform electron gas as the basic ``many-body'' input to determine the temperature T_q of a classical Coulomb fluid having the same correlation energy as…

强关联电子 · 物理学 2009-10-31 M. W. C. Dharma-wardana , F. Perrot

We have used the variational and diffusion quantum Monte Carlo methods to calculate the energy, pair correlation function, static structure factor, and momentum density of the ground state of the two-dimensional homogeneous electron gas. We…

介观与纳米尺度物理 · 物理学 2010-03-02 N. D. Drummond , R. J. Needs

We propose a simple analytic representation of the correlation energy for the two-dimensional electron gas, as a function of the density and the spin polarization. This new parametrization includes most of the known high- and low- density…

强关联电子 · 物理学 2007-05-23 Paola Gori-Giorgi , Claudio Attaccalite , Saverio Moroni , Giovanni B. Bachelet

The spin Coulomb drag effect, arising from the exchange of momentum between electrons of opposite spins, plays a crucial role in the spin transport of interacting electron systems and can be characterized by the exchange-correlation (XC)…

强关联电子 · 物理学 2025-04-25 Zhiyi Li , Pengcheng Hou , Youjin Deng , Kun Chen
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