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Correlation energy of the spin-polarized electron liquid studied using quantum Monte Carlo simulations

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Correlation energy of the spin-polarized electron liquid studied using quantum Monte Carlo simulations. / Azadi, Sam; Drummond, Neil; Vinko, S. M.
In: Physical Review B: Condensed Matter and Materials Physics, Vol. 108, No. 11, 115134, 15.09.2023.

Research output: Contribution to Journal/Magazine › Journal article › peer-review

Harvard

Azadi, S, Drummond, N & Vinko, SM 2023, 'Correlation energy of the spin-polarized electron liquid studied using quantum Monte Carlo simulations', Physical Review B: Condensed Matter and Materials Physics, vol. 108, no. 11, 115134. https://doi.org/10.1103/PhysRevB.108.115134

APA

Azadi, S., Drummond, N., & Vinko, S. M. (2023). Correlation energy of the spin-polarized electron liquid studied using quantum Monte Carlo simulations. Physical Review B: Condensed Matter and Materials Physics, 108(11), Article 115134. https://doi.org/10.1103/PhysRevB.108.115134

Vancouver

Azadi S, Drummond N, Vinko SM. Correlation energy of the spin-polarized electron liquid studied using quantum Monte Carlo simulations. Physical Review B: Condensed Matter and Materials Physics. 2023 Sept 15;108(11):115134. doi: 10.1103/PhysRevB.108.115134

Author

Azadi, Sam ; Drummond, Neil ; Vinko, S. M. / Correlation energy of the spin-polarized electron liquid studied using quantum Monte Carlo simulations. In: Physical Review B: Condensed Matter and Materials Physics. 2023 ; Vol. 108, No. 11.

Bibtex

@article{382ea26168cf43a38615deda863bdec8,
title = "Correlation energy of the spin-polarized electron liquid studied using quantum Monte Carlo simulations",
abstract = "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 in the density range 0.5≤rs≤20. Finite-size errors are corrected using canonical-ensemble twist-averaged boundary conditions and extrapolation of the twist-averaged energy per particle calculated at three system sizes (N=113, 259, and 387) to the thermodynamic limit of infinite system size. The DMC energies in the thermodynamic limit are used to parametrize a local spin density approximation correlation function for inhomogeneous electron systems.",
author = "Sam Azadi and Neil Drummond and Vinko, {S. M.}",
year = "2023",
month = sep,
day = "15",
doi = "10.1103/PhysRevB.108.115134",
language = "English",
volume = "108",
journal = "Physical Review B: Condensed Matter and Materials Physics",
issn = "1098-0121",
publisher = "AMER PHYSICAL SOC",
number = "11",

}

RIS

TY - JOUR

T1 - Correlation energy of the spin-polarized electron liquid studied using quantum Monte Carlo simulations

AU - Azadi, Sam

AU - Drummond, Neil

AU - Vinko, S. M.

PY - 2023/9/15

Y1 - 2023/9/15

N2 - 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 in the density range 0.5≤rs≤20. Finite-size errors are corrected using canonical-ensemble twist-averaged boundary conditions and extrapolation of the twist-averaged energy per particle calculated at three system sizes (N=113, 259, and 387) to the thermodynamic limit of infinite system size. The DMC energies in the thermodynamic limit are used to parametrize a local spin density approximation correlation function for inhomogeneous electron systems.

AB - 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 in the density range 0.5≤rs≤20. Finite-size errors are corrected using canonical-ensemble twist-averaged boundary conditions and extrapolation of the twist-averaged energy per particle calculated at three system sizes (N=113, 259, and 387) to the thermodynamic limit of infinite system size. The DMC energies in the thermodynamic limit are used to parametrize a local spin density approximation correlation function for inhomogeneous electron systems.

U2 - 10.1103/PhysRevB.108.115134

DO - 10.1103/PhysRevB.108.115134

M3 - Journal article

VL - 108

JO - Physical Review B: Condensed Matter and Materials Physics

JF - Physical Review B: Condensed Matter and Materials Physics

SN - 1098-0121

IS - 11

M1 - 115134

ER -