η-ensemble path integral Monte Carlo approach to the free energy of the warm dense electron gas and the uniform electron liquid

We explore the recently introduced η-ensemble approach to compute the free energy directly from ab initio path integral Monte Carlo (PIMC) simulations [T. Dornheim et al., Phys. Rev. B 111, L041114 (2025)2469-995010.1103/PhysRevB.111.L041114] and apply it to the archetypal uniform electron gas model...

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Bibliographic Details
Main Authors: Tobias Dornheim, Panagiotis Tolias, Zhandos A. Moldabekov, Jan Vorberger
Format: Article
Language:English
Published: American Physical Society 2025-06-01
Series:Physical Review Research
Online Access:http://doi.org/10.1103/4n7x-78fs
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