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DOE OSTI · 3365134

Close-coupling approach to electron scattering with multielectron targets

Gomez, Thomas A. [University of Michigan, Ann Arbor, MI (United States); University of Colorado, Boulder, CO (United States); University of Texas at Austin, TX (United States)] (ORCID:0000000187485466)·Fursa, Dmitry V. [Curtin Institute, Perth (Australia)] (ORCID:0000000239519016)·Bray, Igor [Curtin Institute, Perth (Australia)] (ORCID:0000000175548044)·Zammit, Mark Christian [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)] (ORCID:000000030473379X)·Fontes, Christopher John [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)] (ORCID:0000000310872964)·White, Jackson Richard [University of Texas at Austin, TX (United States); Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)] (ORCID:0000000340522746)
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Abstract

Momentum-space close coupling calculations of electron scattering require removal of spurious and unphysical solutions. Here, we demonstrate here that removal of these solutions involve regulator operators that enforce Pauli exclusion selection rules in addition to removing spurious solutions. The form of a regular operator for e-H scattering has already been established, but a general extension to the multielectron case has been elusive. Here we present a general method for scattering on multielectron targets, atoms, or molecules, ensuring that the scattering solutions obey Pauli-exclusion selection rules. The regulator operator is obtained by finding the null space vectors of the 𝑁+1 electrons of the projectile and target atom scattering system. We demonstrate that this general procedure reduces to the e-H result and provide examples for He- and Li-like targets as well as guidance for implementation.

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74 ATOMIC AND MOLECULAR PHYSICSAtomic & molecular collisionsElectron & positron scatteringScattering theory

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BibTeXRIS

Gomez, Thomas A. [University of Michigan, Ann Arbor, MI (United States); University of Colorado, Boulder, CO (United States); University of Texas at Austin, TX (United States)] (ORCID:0000000187485466), Fursa, Dmitry V. [Curtin Institute, Perth (Australia)] (ORCID:0000000239519016), Bray, Igor [Curtin Institute, Perth (Australia)] (ORCID:0000000175548044), Zammit, Mark Christian [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)] (ORCID:000000030473379X), Fontes, Christopher John [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)] (ORCID:0000000310872964), White, Jackson Richard [University of Texas at Austin, TX (United States); Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)] (ORCID:0000000340522746). 2026-04-16. Close-coupling approach to electron scattering with multielectron targets. https://doi.org/10.1103/tkz5-hwjn

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