Uniform electron gases. I. Electrons on a ring
arXiv:1302.6661 · doi:10.1063/1.4802589
Abstract
We introduce a new paradigm for one-dimensional uniform electron gases (UEGs). In this model, electrons are confined to a ring and interact via a bare Coulomb operator. We use Rayleigh-Schrödinger perturbation theory to show that, in the high-density regime, the ground-state reduced (i.e. per electron) energy can be expanded as $\eps(r_s,n) = \eps_0(n) r_s^{-2} + \eps_1(n) r_s^{-1} + \eps_2(n) +\eps_3(n) r_s + \ldots$, where is the Seitz radius. We use strong-coupling perturbation theory and show that, in the low-density regime, the reduced energy can be expanded as $\eps(r_s,n) = η_0(n) r_s^{-1} + η_1(n) r_s^{-3/2} + η_2(n) r_s^{-2} + \ldots$. We report explicit expressions for $\eps_0(n)$, $\eps_1(n)$, $\eps_2(n)$, $\eps_3(n)$, and and derive the thermodynamic (large-) limits of each of these. Finally, we perform numerical studies of UEGs with , using Hylleraas-type and quantum Monte Carlo methods, and combine these with the perturbative results to obtain a picture of the behavior of the new model over the full range of and values.
13 pages, 6 tables and 1 figure, accepted for publication in J. Chem. Phys
References in corpus (20)
- Computational complexity and fundamental limitations to fermionic quantum Monte Carlo simulations
- Continuum variational and diffusion quantum Monte Carlo calculations
- Applications of quantum Monte Carlo methods in condensed systems
- Two electrons on a hypersphere: a quasi-exactly solvable model
- Geometric and impurity effects on quantum rings in magnetic fields
- Magnetic field dependent transmission phase of a double dot system in a quantum ring
- Structure of fermion nodes and nodal cells
- Ground state of two electrons on a sphere
- Ground-state energy of the electron liquid in ultrathin wires
- Excited states of spherium
- Ground state properties of the one-dimensional electron liquid
- Kondo Effect in a Many-Electron Quantum Ring
- Uniform electron gases
- Hooke's law correlation in two-electron systems
- A Tale of Two Electrons: Correlation at High Density
- Correlation energy of the spin-polarized uniform electron gas at high density
- Uniform Electron Gases. II. The Generalized Local Density Approximation in One Dimension
- Ground state of two electrons on concentric spheres
- Exact energy of the spin-polarized two-dimensional electron gas at high density
- Spin exchange in quantum rings and wires in the Wigner-crystal limit
Cited by in corpus (22)
- The Fermion Sign Problem in Path Integral Monte Carlo Simulations: Quantum Dots, Ultracold Atoms, and Warm Dense Matter
- Gedanken Densities and Exact Constraints in Density Functional Theory
- Explicitly correlated plane waves: Accelerating convergence in periodic wavefunction expansions
- Coulomb and Riesz gases: The known and the unknown
- A weight-dependent local correlation density-functional approximation for ensembles
- Weight Dependence of Local Exchange-Correlation Functionals in Ensemble Density-Functional Theory: Double Excitations in Two-Electron Systems
- Uniform Electron Gases. II. The Generalized Local Density Approximation in One Dimension
- Chemistry in One Dimension
- Exchange functionals based on finite uniform electron gases
- Generalized local-density approximation and one-dimensional finite uniform electron gases
- Accurate ground-state energies of Wigner crystals from a simple real-space approach
- A Wigner molecule at extremely low densities: a numerically exact study
- Nodal surfaces and interdimensional degeneracies
- Uniform electron gases: III. Low-density gases on three-dimensional spheres
- Molecular electronic structure in one-dimensional Coulomb systems
- Basis-set correction based on density-functional theory: Rigorous framework for a one-dimensional model
- Exact ground-state properties of one-dimensional electron gas at high density
- Basis functions for electronic structure calculations on spheres
- Symmetry-broken local-density approximation for one-dimensional systems
- Excited-State Wigner Crystals in One Dimension
- Fermions with long and finite range interactions on a quantum ring
- Symmetry breaking and restoration on a fermionic quantum ring