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相关论文: Effects of Backflow Correlation in the Three-Dimen…

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The variational and diffusion quantum Monte Carlo methods are used to calculate the correlation energy of the paramagnetic three-dimensional homogeneous electron gas at intermediate to high density. Ground state energies in finite cells are…

强关联电子 · 物理学 2023-03-29 Sam Azadi , N. D. Drummond , S. M. Vinko

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 justify and evaluate backflow-threebody wavefunctions for a two component system of electrons and protons. Based on the generalized Feynman-Kacs formula, many-body perturbation theory, and band structure calculations, we analyze the use…

强关联电子 · 物理学 2009-11-10 M. Holzmann , D. M. Ceperley , C. Pierleoni , K. Esler

We report variational and diffusion Quantum Monte Carlo ground-state energies of the three-dimensional electron gas using a model periodic Coulomb interaction and backflow corrections for N=54, 102, 178, and 226 electrons. We remove…

材料科学 · 物理学 2010-01-28 I. G. Gurtubay , R. Gaudoin , J. M. Pitarke

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

The ground state energy of the two--dimensional uniform electron gas has been calculated with fixed--node diffusion Monte Carlo, including backflow correlations, for a wide range of electron densities as a function of spin polarization. We…

强关联电子 · 物理学 2009-11-07 Claudio Attaccalite , Saverio Moroni , Paola Gori-Giorgi , Giovanni B. Bachelet

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

An inhomogeneous backflow transformation for many-particle wave functions is presented and applied to electrons in atoms, molecules, and solids. We report variational and diffusion quantum Monte Carlo VMC and DMC energies for various…

计算物理 · 物理学 2008-01-04 P. Lopez-Rios , A. Ma , N. D. Drummond , M. D. Towler , R. J. Needs

We calculate the correlation energy of a two-dimensional homogeneous electron gas using several available approximations for the exchange-correlation kernel $f_{\rm xc}(q,\omega)$ entering the linear dielectric response of the system. As in…

介观与纳米尺度物理 · 物理学 2009-11-10 R. Asgari , M. Polini , B. Davoudi , M. P. Tosi

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 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

We present a variational Monte Carlo study of a model one dimensional electron gas on the continuum, with long-range interaction (1/r decay). At low density the reduced dimensionality brings about pseudonodes of the many-body wavefunction,…

强关联电子 · 物理学 2007-05-23 Michele Casula , Gaetano Senatore

Motivated by recent suggestions --to split the electron-electron interaction into a short-range part, to be treated within the density functional theory, and a long-range part, to be handled by other techniques-- we compute, with a…

材料科学 · 物理学 2009-11-10 Lorenzo Zecca , Paola Gori-Giorgi , Saverio Moroni , Giovanni B. Bachelet

The interaction between a single hole and a two-dimensional, paramagnetic, homogeneous electron gas is studied using diffusion quantum Monte Carlo simulations. Calculations of the electron-hole correlation energy, pair-correlation function,…

强关联电子 · 物理学 2016-08-11 G. G. Spink , P. López Ríos , N. D. Drummond , R. J. Needs

Variational and diffusion quantum Monte Carlo (VMC and DMC) methods with Slater-Jastrow-backflow trial wave functions are used to study the spin-polarized three-dimensional uniform electron fluid. We report ground state VMC and DMC energies…

强关联电子 · 物理学 2025-11-11 Sam Azadi , N. D. Drummond , Sam. M. Vinko

We use a diffusion Monte Carlo method to calculate the lowest energy state of a uniform gas of bosons interacting through different model potentials, both strictly repulsive and with an attractive well. We explicitly verify that at low…

凝聚态物理 · 物理学 2009-10-31 S. Giorgini , J. Boronat , J. Casulleras

We present the results of a variational Monte Carlo calculation of the exchange-correlation energy for a spin-polarized two-dimensional electron gas in a perpendicular magnetic field. These energies are a necessary input to the recently…

凝聚态物理 · 物理学 2009-10-28 Rodney Price , S. Das Sarma

Correlation effects of an electron gas in an external potential are derived using an Effective Action functional method. Corrections beyond the random phase approximation (RPA) are naturally incorporated by this method. The Effective Action…

材料科学 · 物理学 2009-11-10 A. Rebei , W. N. G. Hitchon

According to Landau's Fermi liquid theory, the main properties of the quasiparticle excitations of an electron gas are embodied in the effective mass $m^*$, which determines the energy of a single quasiparticle, and the Landau interaction…

强关联电子 · 物理学 2021-08-25 Sam Azadi , N. D. Drummond , W. M. C. Foulkes

We derive a local approximation for the correlation energy in two-dimensional electronic systems. In the derivation we follow the scheme originally developed by Colle and Salvetti for three dimensions, and consider a Gaussian approximation…

强关联电子 · 物理学 2008-11-21 S. Pittalis , E. Rasanen , M. Marques
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