Abstract:The transition of warm dense fluid hydrogen from an insulator to a conducting state at pressures of about 20–400 GPa and temperatures of 500–5000 K has been the subject of active scientific research over the past few decades. However, various experimental and theoretical methods do not provide consistent results. In this work, we have applied the restricted open‐shell Kohn–Sham (ROKS) method for first principles molecular dynamics of dense hydrogen after thermal excitation to the first singlet excited state. T… Show more
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