High-Precision Shock Wave Measurements of Deuterium: Evaluation of Exchange-Correlation Functionals at the Molecular-to-Atomic Transition.
We present shock compression data for deuterium through the molecular-to-atomic transition along the principal Hugoniot with unprecedented precision, enabling discrimination between subtle differences in first-principle theoretical predictions. These observations, supported through reshock measurements, provide tight constraints in a regime directly relevant to planetary interiors. Our findings are in best agreement with density functional theory; however, no one exchange-correlation functional describes well both the onset of dissociation and the maximum compression along the Hugoniot.
Sandia National Laboratories, Albuquerque, New Mexico 87185, USA.|Institute for Shock Physics, Washington State University, Pullman, Washington 99164-2814, USA.
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Knudson
Sandia National Laboratories, Albuquerque, New Mexico 87185, USA.
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MP
Desjarlais