Electrical conductivity of warm dense hydrogen from ohm’s law and time-dependent density functional theory

2024/11/11 by Kushal Ramakrishna, Mani Lokamani, Attila Cangi · 1 voice · 1 citation
Chemistry · Materials Science · #Advanced Physical and Chemical Molecular Interactions #Electronic and Structural Properties of Oxides #Machine Learning in Materials Science

paper · doi:10.1088/2516-1075/ad912b

openalex publication_date 2024/11/11 · openalex created_date 2025/10/10 · openalex updated_date 2026/06/11

Abstract

Abstract Understanding the electrical conductivity of warm dense hydrogen is critical for both fundamental physics and applications in planetary science and inertial confinement fusion. We demonstrate how to calculate the electrical conductivity using the continuum form of Ohm’s law, with the current density obtained from real-time time-dependent density functional theory. This approach simulates the dynamic response of hydrogen under warm dense matter conditions, with temperatures around 30 000 K and mass densities ranging from 0.02 to 0.98 g cm −3 . We systematically address finite-size errors in real-time time-dependent density functional theory, demonstrating that our calculations are both numerically feasible and reliable. Our results show good agreement with other approaches, highlighting the effectiveness of this method for modeling electronic transport properties from ambient to extreme conditions.

Citations

• Projector augmented-wave method
• Statistical-Mechanical Theory of Irreversible Processes. I. General Theory and Simple Applications to Magnetic and Conduction Problems
• Efficient iterative schemes forab initiototal-energy calculations using a plane-wave basis set

Cited by

• Mixed Stochastic-Deterministic Density Functional Theoretic Decomposition of Kubo-Greenwood Conductivities in the Projector Augmented Wave Formalism

Discussions

• How do you compute the electrical conductivity of #hydrogen across a range of temperatures and pressures? Find out how we analyze Ohm's law on a microscopic scale using time-dependent #DFT in our lat [bsky, 7 points, 0 comments]

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