Path integral Monte Carlo calculation of the momentum distribution of the homogeneous electron gas at finite temperature

B. Militzer; E. L. Pollock; D. M. Ceperley

doi:10.1016/j.hedp.2018.12.004

Path integral Monte Carlo calculation of the momentum distribution of the homogeneous electron gas at finite temperature

B. Militzer, E. L. Pollock, D. M. Ceperley

Physics

Research output: Contribution to journal › Article › peer-review

Abstract

Path integral Monte Carlo (PIMC) simulations are employed to calculate the momentum distribution of the homogeneous electron gas at finite temperature. Open paths are introduced to sample off-diagonal elements of the real-space density matrix. It is demonstrated how the restricted PIMC method can be extended to incorporate open paths in order to allow for the simulations in fermionic systems where a sign problem is present. The computed momentum distribution shows significant deviations from behavior of free fermions when strong correlations are present but agrees with predictions from variational methods.

Original language	English (US)
Pages (from-to)	13-20
Number of pages	8
Journal	High Energy Density Physics
Volume	30
DOIs	https://doi.org/10.1016/j.hedp.2018.12.004
State	Published - Jan 2019

Keywords

Dense plasmas
First-principles simulations
Momentum distributions
Path integral Monte Carlo

ASJC Scopus subject areas

Radiation
Nuclear and High Energy Physics

Online availability

10.1016/j.hedp.2018.12.004

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title = "Path integral Monte Carlo calculation of the momentum distribution of the homogeneous electron gas at finite temperature",

abstract = "Path integral Monte Carlo (PIMC) simulations are employed to calculate the momentum distribution of the homogeneous electron gas at finite temperature. Open paths are introduced to sample off-diagonal elements of the real-space density matrix. It is demonstrated how the restricted PIMC method can be extended to incorporate open paths in order to allow for the simulations in fermionic systems where a sign problem is present. The computed momentum distribution shows significant deviations from behavior of free fermions when strong correlations are present but agrees with predictions from variational methods.",

keywords = "Dense plasmas, First-principles simulations, Momentum distributions, Path integral Monte Carlo",

author = "B. Militzer and Pollock, {E. L.} and Ceperley, {D. M.}",

note = "Publisher Copyright: {\textcopyright} 2018",

year = "2019",

month = jan,

doi = "10.1016/j.hedp.2018.12.004",

language = "English (US)",

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AU - Militzer, B.

AU - Pollock, E. L.

AU - Ceperley, D. M.

PY - 2019/1

Y1 - 2019/1

N2 - Path integral Monte Carlo (PIMC) simulations are employed to calculate the momentum distribution of the homogeneous electron gas at finite temperature. Open paths are introduced to sample off-diagonal elements of the real-space density matrix. It is demonstrated how the restricted PIMC method can be extended to incorporate open paths in order to allow for the simulations in fermionic systems where a sign problem is present. The computed momentum distribution shows significant deviations from behavior of free fermions when strong correlations are present but agrees with predictions from variational methods.

AB - Path integral Monte Carlo (PIMC) simulations are employed to calculate the momentum distribution of the homogeneous electron gas at finite temperature. Open paths are introduced to sample off-diagonal elements of the real-space density matrix. It is demonstrated how the restricted PIMC method can be extended to incorporate open paths in order to allow for the simulations in fermionic systems where a sign problem is present. The computed momentum distribution shows significant deviations from behavior of free fermions when strong correlations are present but agrees with predictions from variational methods.

KW - Dense plasmas

KW - First-principles simulations

KW - Momentum distributions

KW - Path integral Monte Carlo

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SP - 13

EP - 20

JO - High Energy Density Physics

JF - High Energy Density Physics

ER -

Path integral Monte Carlo calculation of the momentum distribution of the homogeneous electron gas at finite temperature

Abstract

Keywords

ASJC Scopus subject areas

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