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Modeling partially ionized dense plasma using wavepacket molecular dynamics

Daniel Plummer1,*, Pontus Svensson1,2,3, Wiktor Jasniak1, Patrick Hollebon4, Sam M. Vinko1, and Gianluca Gregori1

  • *Contact author: daniel.plummer@physics.ox.ac.uk
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Phys. Rev. E 113, 045206 – Published 2 April, 2026

DOI: https://doi.org/10.1103/x4j6-9d29

Abstract

We develop a wavepacket molecular dynamics framework for modeling the structural properties of partially ionized dense plasmas, based on a chemical model that explicitly includes bound state wave functions. Using hydrogen as a representative system, we compute self-consistent charge state distributions through free-energy minimization, following the approach of Plummer et al. [Phys. Rev. E 111, 015204 (2025)]. This enables a direct comparison of static equilibrium properties with path-integral Monte Carlo data, facilitating an evaluation of the model's underlying approximations and its ability to capture the complex interplay between ionization and structure in dense plasma environments.

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Phys. Rev. E 113, 045206– Published 2 April, 2026
  • Received 31 October 2025
  • Accepted 9 March 2026
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Published by the American Physical Society under the terms of the Creative Commons Attribution 4.0 International license. Further distribution of this work must maintain attribution to the author(s) and the published article's title, journal citation, and DOI.

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