Review of real-time time-dependent density functional theory predicting electronic properties in high-energy density systems, suggesting advancements in computational methods.
Electronic response properties of high-energy density (HED) systems influence planetary structure, drive evolution of fusion targets, and underpin diagnostics in laboratory astrophysics. Real-time time-dependent density functional theory (TDDFT) offers a versatile modeling framework capable of accurately predicting the dynamic response of HED materials—including free–free, bound–free, and bound–bound contributions without requiring ad hoc state partitioning; capturing both collective and non-collective behavior; and applying within the linear-response regime and beyond. We review the theoretical formalism of real-time TDDFT as applied to HED systems, provide a practical tutorial for computing relevant response properties (dynamic structure factors, conductivity, and stopping power), and comment on avenues for further development of this powerful computational method in service of HED science.
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Kononov et al. (2026) studied this question.
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