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Quantum Monte Carlo simulation of spin-polarized H

2007/02/19 by Leandra Vranješ Markić, L. Vranjes Markic, J. Boronat +4 · 1 citation
Earth and Planetary Sciences · Physics and Astronomy · #Atomic and Subatomic Physics Research #FOS: Physical sciences #High-pressure geophysics and materials #Other Condensed Matter (cond-mat.other) #Quantum, superfluid, helium dynamics #cond-mat.other

paper · pdf · doi:10.48550/arxiv.cond-mat/0702442

9 pages, accepted for publication in Phys. Rev. B

arxiv created 2007/02/19 · openalex publication_date 2007/02/19 · arxiv updated 2009/12/01 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28

Abstract

The ground-state properties of spin polarized hydrogen H\downarrow are obtained by means of diffusion Monte Carlo calculations. Using the most accurate to date ab initio H\downarrow-H\downarrow interatomic potential we have studied its gas phase, from the very dilute regime until densities above its freezing point. At very small densities, the equation of state of the gas is very well described in terms of the gas parameter ρa3, with a the s-wave scattering length. The solid phase has also been studied up to high pressures. The gas-solid phase transition occurs at a pressure of 173 bar, a much higher value than suggested by previous approximate descriptions.

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