Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Log inSign up
Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Blog
Job Board
Q3AS

© 2026 Aqora Quantum S.A.S.

TermsPrivacyLegal Notice

Physica E Low-dimensional Systems and Nanostructures

Dynamic exchange-correlation potentials for the 2D electron gas

Riccardo Nifosı̀, Sergio Conti, M. P. Tosi

Published Jan 1, 1997• 5 citations
Publisher
DOI
10.1016/s1386-9477(97)00041-6

Related papers

Pair Correlations and Exchange Phenomena in the Free Electron Gas

Gero Friesecke

Communications in Mathematical Physics•Mar 1, 1997•26 citations

Analytic theory of correlation energy and spin polarization in the 2D electron gas

Reza Asgari, B. Davoudi, M. P. Tosi

arXiv:cond-mat/0405217•Solid State Communications•Jun 9, 2004•16 citations

Two-dimensional homogeneous electron gas with symmetric dual-gate screening: Exchange-correlation functional and other ground-state properties

Yiqi Yang, Yubo Yang, Kun Chen +2 more

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 foundation for density-functional calculations. It is also of direct relevance to a variety of experimental settings, especially with the rapid recent growth in 2D materials and moir\'e systems. In these experiments, metallic gates are often present, which screen the Coulomb interaction between electrons. The effect of the screening can qualitatively change the behavior of the 2D HEG, and requires accurate many-body computations to capture. In this paper, we perform state-of-the-art diffusion Monte Carlo (DMC) calculations in the 2D HEG subjected to symmetric dual-gate screening. We systematically compute the correlation energy across a range of densities and gate separations for both spin unpolarized and fully polarized systems. A global fit is obtained for the correlation energy, using these data and imposing various limiting behaviors obtained from perturbation analysis. The functional will allow density-functional calculations to be performed for a variety of realistic experimental setups, which can accurately account for the presence of gates. We also investigate how the gate screening affects the bulk modulus, pair correlation function, and the structure factor of the 2D HEG, which can potentially be probed in experiments.

arXiv:2410.07445•Physical review. B./Physical review. B•Jan 16, 2025•3 citations

Dynamic Correlations in the Electron Gas: The Mean Field Picture and Beyond

D. Neilson, F. Green, J. Szymański

Recent Progress in Many-Body Theories•Jan 1, 1988•0 citations

Geometric Derivation of the Stress Tensor of the Homogeneous Electron Gas

Jianmin Tao, Giovanni Vignale, Jian‐Xin Zhu

The foundation of many approximations in time-dependent density functional theory (TDDFT) lies in the theory of the homogeneous electron gas. However, unlike the ground-state DFT, in which the exchange-correlation potential of the homogeneous electron gas is known exactly via the quantum Monte Carlo calculation, the time-dependent or frequency-dependent dynamical potential of the homogeneous electron gas has not been known exactly, due to the absence of a similar variational principle for excited states. In this work, we present a simple geometric derivation of the time-dependent dynamical exchange-correlation potential for the homogeneous system. With this derivation, the dynamical potential can be expressed in terms of the stress tensor, offering an alternative to calculate the bulk and shear moduli, two key input quantities in TDDFT.

Computation•Jun 8, 2017•1 citation

Density-functional Green function theory: dynamical exchange-correlation field in lieu of self-energy

F. Aryasetiawan

The one-particle Green function of a many-electron system is traditionally formulated within the self-energy picture. A different formalism was recently proposed, in which the self-energy is replaced by a dynamical exchange-correlation field, which acts on the Green function locally in both space and time. It was found that there exists a fundamental quantity, referred to as the dynamical exchange-correlation hole, which can be interpreted as effective density fluctuations induced in a many-electron system when a hole or an electron is introduced into the system, as in photoemission and inverse photoemission experiments. The dynamical exchange-correlation potential is simply the Coulomb potential of this exchange-correlation hole, which fulfils a sum rule and an exact constraint, identical to those satisfied by the static exchange-correlation hole in density-functional theory. The proposed formalism has been applied to a number of model systems such as the half-filled one-dimensional Hubbard model, the one-dimensional antiferromagnetic Heisenberg model, and the single-impurity Anderson model. The dynamical exchange-correlation hole and field of the homogeneous electron gas have also been studied with the view of constructing a density-functional approximation such as the local-density approximation. The availability of simple but accurate approximations for the exchange-correlation potential would circumvent costly computations of the traditional self-energy. The formalism may also provide new perspectives and insights into the many-body problem.

arXiv:2505.19852•Journal of Physics Condensed Matter•Jul 15, 2025•0 citations
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 foundation for density-functional calculations. It is also of direct relevance to a variety of experimental settings, especially with the rapid recent growth in 2D materials and moir\'e systems. In these experiments, metallic gates are often present, which screen the Coulomb interaction between electrons. The effect of the screening can qualitatively change the behavior of the 2D HEG, and requires accurate many-body computations to capture. In this paper, we perform state-of-the-art diffusion Monte Carlo (DMC) calculations in the 2D HEG subjected to symmetric dual-gate screening. We systematically compute the correlation energy across a range of densities and gate separations for both spin unpolarized and fully polarized systems. A global fit is obtained for the correlation energy, using these data and imposing various limiting behaviors obtained from perturbation analysis. The functional will allow density-functional calculations to be performed for a variety of realistic experimental setups, which can accurately account for the presence of gates. We also investigate how the gate screening affects the bulk modulus, pair correlation function, and the structure factor of the 2D HEG, which can potentially be probed in experiments.
The foundation of many approximations in time-dependent density functional theory (TDDFT) lies in the theory of the homogeneous electron gas. However, unlike the ground-state DFT, in which the exchange-correlation potential of the homogeneous electron gas is known exactly via the quantum Monte Carlo calculation, the time-dependent or frequency-dependent dynamical potential of the homogeneous electron gas has not been known exactly, due to the absence of a similar variational principle for excited states. In this work, we present a simple geometric derivation of the time-dependent dynamical exchange-correlation potential for the homogeneous system. With this derivation, the dynamical potential can be expressed in terms of the stress tensor, offering an alternative to calculate the bulk and shear moduli, two key input quantities in TDDFT.
The one-particle Green function of a many-electron system is traditionally formulated within the self-energy picture. A different formalism was recently proposed, in which the self-energy is replaced by a dynamical exchange-correlation field, which acts on the Green function locally in both space and time. It was found that there exists a fundamental quantity, referred to as the dynamical exchange-correlation hole, which can be interpreted as effective density fluctuations induced in a many-electron system when a hole or an electron is introduced into the system, as in photoemission and inverse photoemission experiments. The dynamical exchange-correlation potential is simply the Coulomb potential of this exchange-correlation hole, which fulfils a sum rule and an exact constraint, identical to those satisfied by the static exchange-correlation hole in density-functional theory. The proposed formalism has been applied to a number of model systems such as the half-filled one-dimensional Hubbard model, the one-dimensional antiferromagnetic Heisenberg model, and the single-impurity Anderson model. The dynamical exchange-correlation hole and field of the homogeneous electron gas have also been studied with the view of constructing a density-functional approximation such as the local-density approximation. The availability of simple but accurate approximations for the exchange-correlation potential would circumvent costly computations of the traditional self-energy. The formalism may also provide new perspectives and insights into the many-body problem.