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cond-mat.mtrl-sci2025★ 3 cited
Self-consistent random phase approximation and optimized hybrid functionals for solids
Thomas Pitts, Damian Contant, Maria Hellgren
The random phase approximation (RPA) and the approximation share the same total energy functional but RPA is defined on a restricted domain of Green's functions determined by…
cond-mat.mtrl-sci2022★ 6 cited
High-pressure II-III phase transition in solid hydrogen: Insights from state-of-the-art ab initio calculations
Maria Hellgren, Damian Contant, Thomas Pitts +1
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 fo…