High-pressure ii-iii phase transition in solid hydrogen: insights from state-of-the-art ab initio calculations

HIGHLIGHTS

• who: Maria Hellgren from the CNRS, IMPMC, place Jussieu, Paris, France have published the research: High-pressure II-III phase transition in solid hydrogen: Insights from state-of-the-art ab initio calculations, in the Journal: (JOURNAL) of 17/Oct/2022
• what: The authors show that the transition pressure is compatible with experimental findings when accurate electronic energies are considered, together with zero-point energy variations. In Fig 1(a) the authors report the results for the static enthalpy difference between P21 /c-24 and C2/c-24 with DMC and RPA, as well as . . .
  

   

  

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