Electron-impact high-lying <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msup><mml:mrow><mml:msub><mml:mi mathvariant="normal">N</mml:mi><mml:mn>2</mml:mn></mml:msub></mml:mrow><mml:mo>−</mml:mo></mml:msup></mml:math> resonant states
نویسندگان
چکیده
Quasibound states of the nitrogen molecular anion are studied by electron scattering from ${\mathrm{N}}_{2}$ using ab initio $R$-matrix theory and a close-coupling model. Scattering calculations performed both cc-pVTZ cc-pVQZ target basis sets involving up to 26 low-lying in complete active space configuration-interaction representation. Complex resonance potential energy curves characterized as function internuclear separation for all eight ${{\mathrm{N}}_{2}}^{\ensuremath{-}}$ identified, including well-known $X{\phantom{\rule{0.16em}{0ex}}}^{2}{\mathrm{\ensuremath{\Pi}}}_{g}$ shape resonance, one $1{\phantom{\rule{0.16em}{0ex}}}^{2}{\mathrm{\ensuremath{\Sigma}}}_{g}^{+}$ Feshbach well six core-excited resonances 1 ${}^{2}{\mathrm{\ensuremath{\Delta}}}_{g}$, ${}^{2}{\mathrm{\ensuremath{\Pi}}}_{u}$, 2 3 ${}^{2}{\mathrm{\ensuremath{\Sigma}}}_{u}^{+}$, ${}^{2}{\mathrm{\ensuremath{\Sigma}}}_{u}^{\ensuremath{-}}$. The ${}^{2}{\mathrm{\ensuremath{\Delta}}}_{g}$ ${}^{2}{\mathrm{\ensuremath{\Sigma}}}_{u}^{\ensuremath{-}}$ resonant identified characterized. Comparisons made with very different structure isoelectronic ${\mathrm{CO}}^{\ensuremath{-}}$ anion. present analysis provides starting point studies vibrational excitation, electron-impact dissociation, other resonance-driven phenomena ${\mathrm{N}}_{2}$.
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ژورنال
عنوان ژورنال: Physical review
سال: 2022
ISSN: ['0556-2813', '1538-4497', '1089-490X']
DOI: https://doi.org/10.1103/physreva.105.062824