Short-range correlation in the uniform electron gas: Extended Overhauser model
arXiv:cond-mat/0107264 · doi:10.1103/PhysRevB.64.155102
Abstract
We use the two-electron wavefunctions (geminals) and the simple screened Coulomb potential proposed by Overhauser [Can. J. Phys. 73, 683 (1995)] to compute the pair-distribution function for a uniform electron gas. We find excellent agreement with Quantum Monte Carlo simulations in the short-range region, for a wide range of electron densities. We are thus able to estimate the value of the second-order coefficient of the small interelectronic-distance expansion of the pair-distribution function. The results are generalized to the partially polarized gas.
9 pages, 5 figures. Accepted for publication in Phys. Rev. B
Cited by in corpus (37)
- Local-spin-density functional for multideterminant density functional theory
- Quantum Monte Carlo study of the three-dimensional spin-polarized homogeneous electron gas
- First principles simulations of dense hydrogen
- Pair distribution function of the spin-polarized electron gas: A first-principles analytic model for all uniform densities
- Properties of short-range and long-range correlation energy density functionals from electron-electron coalescence
- Momentum distribution of the uniform electron gas: improved parametrization and exact limits of the cumulant expansion
- Spin dynamics from time-dependent spin density-functional theory
- Emergence of an excitonic collective mode in the dilute electron gas
- Pair-distribution functions of the two-dimensional electron gas
- Simple model for the spherically- and system-averaged pair density: Results for two-electron atoms
- Self-consistent Overhauser model for the pair distribution function of an electron gas in dimensionalities D=3 and D=2
- Momentum distribution function and short-range correlations of the warm dense electron gas -- ab initio quantum Monte Carlo results
- System-adapted correlation energy density functionals from effective pair interactions
- Analytic theory of ground-state properties of a three-dimensional electron gas at varying spin polarization
- Vertex corrections for positive-definite spectral functions of simple metals
- Simple Physical Picture of the Overhauser Screened Electron-Electron Interaction
- Orbital-free energy functional for electrons in two dimensions
- Simple model of the static exchange-correlation kernel of a uniform electron gas with long-range electron-electron interaction
- Range-separated meta-GGA functional designed for noncovalent interactions
- Intracule densities in the strong-interaction limit of density functional theory
- Accurate energies of transition metal atoms, ions, and monoxides using selected configuration interaction and density-based basis-set corrections
- Range separation combined with the Overhauser model: Application to the H molecule along the dissociation curve
- A spin-polarized scheme for obtaining quasi-particle energies within the density functional theory
- The on-top pair-correlation density in the homogeneous electron liquid
- New sum rules relating the 1-body momentum distribution of the homogeneous electron gas to the Overhauser 2-body wave functions of its pair density
- Pair densities at contact in the quantum electron gas
- Kohn-Sham calculations combined with an average pair-density functional theory
- A first-principles-based correlation functional for harmonious connection of short-range correlation and long-range dispersion
- The high-density electron gas: How its momentum distribution n(k) and its static structure factor S(q) are mutually related through the off-shell self-energy Sigma(k,omega)
- Spin-density functional approach to thermodynamic and structural consistence in the charge and spin response of an electron gas
- Exchange and correlation as a functional of the local density of states
- Self-consistent scattering theory of the pair distribution function in charged Bose fluids
- Pair distribution function in a two-dimensional electron gas
- Assessment of an analytical density-matrix derived from a modified Colle-Salvetti approach to the electron gas
- Momentum distribution of the Uniform Electron Gas at finite temperature: Effects of spin-polarization
- Effective interactions between parallel-spin electrons in two-dimensional jellium approaching the magnetic phase transition
- Self-consistent Overhauser model for the pair distribution function of an electron gas at finite temperature