Calculation of cross sections for electron scattering on <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:msub> <mml:mi>Li</mml:mi> <mml:mn>2</mml:mn> </mml:msub> </mml:math>
The molecular convergent close-coupling (MCCC) method is utilized to calculate cross sections for electron scattering on the ground state of ${\mathrm{Li}}_{2}$. A model-potential approach is used to represent ${\mathrm{Li}}_{2}$ as a quasi-two-electron system above a frozen core, and configuration-interaction calculations are performed to obtain the valence states. Cross sections are calculated at incident electron energies between 0.01 and 500 eV, for elastic, excitation, ionization, and total scattering. Comparison is made with previous results where available. For the elastic-scattering cross section, qualitative agreement is found with previous calculations at low incident energies, and quantitative agreement is found at higher energies. The previously predicted ${}^{2}{\mathrm{\ensuremath{\Pi}}}_{u}$ shape resonance is also found in the present calculations, but at a substantially lower energy and with a larger magnitude. Mixed agreement is found with previous calculations for the excitation of the $1\phantom{\rule{0.16em}{0ex}}^{1}\mathrm{\ensuremath{\Sigma}}_{u}^{+}$ and $1\phantom{\rule{0.16em}{0ex}}^{3}\mathrm{\ensuremath{\Sigma}}_{g}^{+}$ states, and for ionization. The MCCC total cross section is in reasonable agreement with the only available experiment at incident energies greater than 0.5 eV.
Institutions
- Los Alamos National Laboratory (US)
- Curtin University (AU)
Publication Details
- Journal
- Physical review. A/Physical review, A
- Published
- 2025-11-03
- DOI
- https://doi.org/10.1103/32xb-j8rq
- Primary Topic
- Atomic and Molecular Physics
- Type
- article
- Field-Weighted Citation Impact
- 0.00