Quantum Monte Carlo techniques and applications for warm dense matter

Ethan Brown; Miguel A. Morales; Carlo Pierleoni; David Ceperley

doi:10.1007/978-3-319-04912-0__5

Quantum Monte Carlo techniques and applications for warm dense matter

Ethan Brown, Miguel A. Morales, Carlo Pierleoni, David Ceperley

Physics

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

Abstract

The Quantum Monte Carlo (QMC) method is used to study physical problems which are analytically intractable due to many-body interactions and strong coupling strengths. Thismakes QMC a natural choice in the warm dense matter (WDM) regime where both the Coulomb coupling parameter Ґ≡e²/(r_sk_BT)and the electron degeneracy parameter Ө≡T/T_Fare close to unity. As a truly first-principles simulation method, it affords superior accuracy while still maintaining reasonable scaling, emphasizing its role as a benchmark tool. Here we give an overview of QMC methods including diffusion MC, path integral MC, and coupled electron-ion MC. We then provide several examples of their use in the WDM regime, reviewing applications to the electron gas, hydrogen plasma, and first row elements. We conclude with a comparison of QMC to other existing methods, touching specifically on QMC’s range of applicability.

Original language	English (US)
Pages (from-to)	123-149
Number of pages	27
Journal	Lecture Notes in Computational Science and Engineering
Volume	96
DOIs	https://doi.org/10.1007/978-3-319-04912-0__5
State	Published - 2014

ASJC Scopus subject areas

Modeling and Simulation
General Engineering
Discrete Mathematics and Combinatorics
Control and Optimization
Computational Mathematics

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10.1007/978-3-319-04912-0__5

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Cite this

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AU - Pierleoni, Carlo

AU - Ceperley, David

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Quantum Monte Carlo techniques and applications for warm dense matter

Abstract

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