Modeling partially ionized dense plasma using wavepacket molecular dynamics

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)2470-004510.1103/PhysRevE.111.015204]. 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.