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  • PhysRevB.88.085121

    Rights statement: ©2013 American Physical Society

    Final published version, 599 KB, PDF document

  • 1307.5794v1

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Quantum Monte Carlo study of the three-dimensional spin-polarized homogeneous electron gas

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

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Quantum Monte Carlo study of the three-dimensional spin-polarized homogeneous electron gas. / Spink, G. G.; Needs, R. J.; Drummond, N. D.
In: Physical review B, Vol. 88, No. 8, 085121, 22.08.2013.

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

Harvard

Spink, GG, Needs, RJ & Drummond, ND 2013, 'Quantum Monte Carlo study of the three-dimensional spin-polarized homogeneous electron gas', Physical review B, vol. 88, no. 8, 085121. https://doi.org/10.1103/PhysRevB.88.085121

APA

Spink, G. G., Needs, R. J., & Drummond, N. D. (2013). Quantum Monte Carlo study of the three-dimensional spin-polarized homogeneous electron gas. Physical review B, 88(8), Article 085121. https://doi.org/10.1103/PhysRevB.88.085121

Vancouver

Spink GG, Needs RJ, Drummond ND. Quantum Monte Carlo study of the three-dimensional spin-polarized homogeneous electron gas. Physical review B. 2013 Aug 22;88(8):085121. doi: 10.1103/PhysRevB.88.085121

Author

Spink, G. G. ; Needs, R. J. ; Drummond, N. D. / Quantum Monte Carlo study of the three-dimensional spin-polarized homogeneous electron gas. In: Physical review B. 2013 ; Vol. 88, No. 8.

Bibtex

@article{67509744bee848c3b43972617ed48b0f,
title = "Quantum Monte Carlo study of the three-dimensional spin-polarized homogeneous electron gas",
abstract = "We have studied the spin-polarized three-dimensional homogeneous electron gas using the diffusion quantum Monte Carlo method, with trial wave functions including backflow and three-body correlations in the Jastrow factor, and we have used twist averaging to reduce finite-size effects. Calculations of the pair-correlation function, including the on-top pair density, as well as the structure factor and the total energy, are reported for systems of 118 electrons in the density range rs=0.5–20 a.u., and for spin polarizations of 0, 0.34, 0.66, and 1. We consider the spin resolution of the pair-correlation function and structure factor, and the energy of spin polarization. We show that a control variate method can reduce the variance when twist averaging, and we have achieved higher accuracy and lower noise than earlier quantum Monte Carlo studies.",
author = "Spink, {G. G.} and Needs, {R. J.} and Drummond, {N. D.}",
note = "{\textcopyright}2013 American Physical Society",
year = "2013",
month = aug,
day = "22",
doi = "10.1103/PhysRevB.88.085121",
language = "English",
volume = "88",
journal = "Physical review B",
issn = "1098-0121",
publisher = "AMER PHYSICAL SOC",
number = "8",

}

RIS

TY - JOUR

T1 - Quantum Monte Carlo study of the three-dimensional spin-polarized homogeneous electron gas

AU - Spink, G. G.

AU - Needs, R. J.

AU - Drummond, N. D.

N1 - ©2013 American Physical Society

PY - 2013/8/22

Y1 - 2013/8/22

N2 - We have studied the spin-polarized three-dimensional homogeneous electron gas using the diffusion quantum Monte Carlo method, with trial wave functions including backflow and three-body correlations in the Jastrow factor, and we have used twist averaging to reduce finite-size effects. Calculations of the pair-correlation function, including the on-top pair density, as well as the structure factor and the total energy, are reported for systems of 118 electrons in the density range rs=0.5–20 a.u., and for spin polarizations of 0, 0.34, 0.66, and 1. We consider the spin resolution of the pair-correlation function and structure factor, and the energy of spin polarization. We show that a control variate method can reduce the variance when twist averaging, and we have achieved higher accuracy and lower noise than earlier quantum Monte Carlo studies.

AB - We have studied the spin-polarized three-dimensional homogeneous electron gas using the diffusion quantum Monte Carlo method, with trial wave functions including backflow and three-body correlations in the Jastrow factor, and we have used twist averaging to reduce finite-size effects. Calculations of the pair-correlation function, including the on-top pair density, as well as the structure factor and the total energy, are reported for systems of 118 electrons in the density range rs=0.5–20 a.u., and for spin polarizations of 0, 0.34, 0.66, and 1. We consider the spin resolution of the pair-correlation function and structure factor, and the energy of spin polarization. We show that a control variate method can reduce the variance when twist averaging, and we have achieved higher accuracy and lower noise than earlier quantum Monte Carlo studies.

U2 - 10.1103/PhysRevB.88.085121

DO - 10.1103/PhysRevB.88.085121

M3 - Journal article

VL - 88

JO - Physical review B

JF - Physical review B

SN - 1098-0121

IS - 8

M1 - 085121

ER -