中文
相关论文

相关论文: Effective potential of electron-electron interacti…

200 篇论文

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 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…

其他凝聚态物理 · 物理学 2016-08-16 J. Jung , P. García-González , J. E. Alvarellos , R. W. Godby

We analyze the effective electron-electron interaction in a two dimensional polarized paramagnetic system. The spin degree of freedom, s, is manifestly present in the expressions of spin dependent local field factors that describe the short…

强关联电子 · 物理学 2007-05-23 Juana Moreno , D. C. Marinescu

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

We report an ab initio evaluation of the surface energy of a simple metal, performed via a coupling-constant integration over the dynamical density-response function. The rapid rate of change of the electron density at the surface is…

材料科学 · 物理学 2009-10-30 J. M. Pitarke , A. G. Eguiluz

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

Using an accurate semi-analytic wavefunction for two electron atoms, we construct the external potential for varying strength of electron-electron (e-e) interaction. Using this potential we explicitly calculate the energy of their positive…

原子与分子团簇 · 物理学 2016-02-18 Rabeet Singh Chauhan , Manoj K. Harbola

Based on the time-dependent density-functional theory, we have derived a rigorous formula for the stopping power of an {\it interacting} electron gas for ions in the limit of low projectile velocities. If dynamical correlation between…

材料科学 · 物理学 2009-11-11 V. U. Nazarov , J. M. Pitarke , C. S. Kim , Y. Takada

The density-density correlations of the non-interacting finite temperature electron gas are discussed in detail. Starting from the ideal linear density response function and utilizing general relations from linear response theory, known and…

等离子体物理 · 物理学 2025-09-24 Panagiotis Tolias , Tobias Dornheim , Jan Vorberger

One-electron self-interaction and an incorrect asymptotic behavior of the Kohn-Sham exchange-correlation potential are among the most prominent limitations of many present-day density functionals. However, a one-electron…

化学物理 · 物理学 2016-07-06 Tobias Schmidt , Eli Kraisler , Leeor Kronik , Stephan Kümmel

This paper presents the effects of AB-flux field and electric field on electron-electron interaction, encircled by a strongly coupled semiclassical plasma. We found that weak external fields are required to perpetuate a low-energy elastic…

介观与纳米尺度物理 · 物理学 2019-05-01 B. J. Falaye , K. J. Oyewumi , O. A. Falaiye , C. A. Onate , O. J. Oluwadare , W. A. Yahya

We present an accurate local density-functional for electronic-structure calculations within the density functional theory (DFT). The functional is derived by analyzing the structure of the standard perturbative expansion of the correlation…

材料科学 · 物理学 2024-11-28 Mario Benites , Angel Rosado , Efstratios Manousakis

We construct the complementary short-range correlation relativistic local-density-approximation functional to be used in relativistic range-separated density-functional theory based on a Dirac-Coulomb Hamiltonian in the no-pair…

化学物理 · 物理学 2021-05-26 Julien Paquier , Julien Toulouse

We calculate the short-range exchange-correlation energy of the uniform electron gas with two modified electron-electron interactions. While the short-range exchange functionals are calculated analytically, Coupled-Cluster and…

材料科学 · 物理学 2016-08-16 Julien Toulouse , Andreas Savin , Heinz-Jürgen Flad

Accurate treatment of the electronic correlation in inhomogeneous electronic systems, combined with the ability to capture the correlation energy of the homogeneous electron gas, allows to reach high predictive power in the application of…

强关联电子 · 物理学 2010-06-22 E. Rasanen , S. Pittalis , C. R. Proetto

We present a practical and accurate density functional for the exchange-correlation energy of electrons in two dimensions. The exchange part is based on a recent two-dimensional generalized-gradient approximation derived by considering the…

强关联电子 · 物理学 2010-06-30 E. Rasanen , S. Pittalis , J. G. Vilhena , M. A. L. Marques

Using Poisson-Boltzmann equation and linear response theory, we derive an effective interaction potential due to a fixed charge distribution in a solution containing polyelectrolytes and point salt. We obtain an expression for the effective…

软凝聚态物质 · 物理学 2016-01-08 Sandipan Dutta , and Y. S. Jho

We present and discuss some ideas concerning an ``average-pair-density functional theory'', in which the ground-state energy of a many-electron system is rewritten as a functional of the spherically and system-averaged pair density. These…

材料科学 · 物理学 2009-11-11 Paola Gori-Giorgi , Andreas Savin

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

Employing a local formula for the electron-electron interaction energy, we derive a self-consistent approximation for the total energy of a general $N$-electron system. Our scheme works as a local variant of the Thomas-Fermi approximation…

化学物理 · 物理学 2013-10-31 E. Rasanen , A. Odriazola , I. Makkonen , A. Harju
‹ 上一页 1 2 3 10 下一页 ›