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DOE OSTI · 3017803

Electron-impact ionization from excited states method

Abstract

We present a distorted-wave with exchange (DWE) formulation for computing electron-impact ionization (EII) cross sections within the recently developed excited states method (ESM) for plasmas. The ESM provides a self-consistent quantum-mechanical description of both bound and continuum electronic states in dense plasmas, incorporating finite-temperature and screening effects absent in isolated-atom approaches. Using this framework, we calculate EII cross sections for lithium across a wide range of temperatures and densities. We show that the ESM reproduces the isolated-atom limit at low densities while capturing strong plasma effects, such as pressure ionization and shape resonances, at solid density. Comparisons with isolated-atom DWE and average-atom (AA) calculations reveal that, although AA cross sections can approximate configuration average behavior, the ESM provides more accurate, state-resolved answers. In conclusion, these results demonstrate that the ESM allows one to obtain rate coefficients for collisional-radiative modeling of plasmas out of local thermodynamical equilibrium.

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Tan, Hoang Bao Tran [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)] (ORCID:0000000215116052), Davis, Kelcey S. [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States); Univ. of Connecticut, Storrs, CT (United States)] (ORCID:0000000180478351), Johnson, Claire E. [College of William and Mary, Williamsburg, VA (United States)], White, Jackson Richard [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States); Univ. of Texas, Austin, TX (United States)] (ORCID:0000000340522746), Fontes, Christopher John [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)] (ORCID:0000000310872964), Starrett, Charles Edward [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)] (ORCID:0000000215828148). 2026-02-09. Electron-impact ionization from excited states method. https://doi.org/10.1016/j.hedp.2026.101270

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