High-pressure II-III phase transition in solid hydrogen: Insights from state-of-the-art ab initio calculations

• Published in: Physical review research Vol. 4; no. 4; p. L042009
• Main Authors: Hellgren, Maria, Contant, Damian, Pitts, Thomas, Casula, Michele
• Format: Journal Article
• Language: English
• Published: American Physical Society 01.10.2022
• Subjects: Condensed Matter; Materials Science; Physics

The high-pressure II-III phase transition in solid hydrogen is investigated using the random phase approximation and diffusion Monte Carlo. Good agreement between the methods is found confirming that an accurate treatment of exchange and correlation increases the transition pressure by more than 100...