An intermediate spherically averaged Ewald reference plus ξ-extrapolation accelerates free-energy estimation in PIMC for the uniform electron gas, enabling 1000-electron runs with sub-chemical-accuracy errors.
High-pressure phase diagram of beryllium from ab initio free-energy cal- culations
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Accelerated free energy estimation in ab initio path integral Monte Carlo simulations
An intermediate spherically averaged Ewald reference plus ξ-extrapolation accelerates free-energy estimation in PIMC for the uniform electron gas, enabling 1000-electron runs with sub-chemical-accuracy errors.