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. This makes QMC a natural choice in the warm dense matter (WDM) regime where both the Coulomb coupling parameter Γ≡e2/(rskBT) and the electron degeneracy parameter Θ ≡ T∕T F are 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.

Quantum Monte Carlo techniques and applications for warm dense matter

PIERLEONI, CARLO;
2014

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. This makes QMC a natural choice in the warm dense matter (WDM) regime where both the Coulomb coupling parameter Γ≡e2/(rskBT) and the electron degeneracy parameter Θ ≡ T∕T F are 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.
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Utilizza questo identificativo per citare o creare un link a questo documento: http://hdl.handle.net/11697/27262
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