Su, He; Cheng, Xinlu; Cooper, Bridgette; Tennyson, Jonathan; Zhang, Hong; (2022) Electron-impact high-lying N2− resonant states. Physical Review A , 105 (6) , Article 062824. 10.1103/physreva.105.062824.

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Abstract

Quasibound states of the nitrogen molecular anion are studied by electron scattering from N 2 using ab initio R -matrix theory and a close-coupling model. Scattering calculations are performed using both cc-pVTZ and cc-pVQZ target basis sets involving up to 26 low-lying target states in a complete active space configuration-interaction representation. Complex resonance potential energy curves are characterized as a function of internuclear separation for all eight N 2 − states identified, including the well-known X 2 Π g shape resonance, one 1 2 Σ + g Feshbach resonance, as well as six core-excited resonances involving 1 2 Δ g , 1 2 Π u , 2 2 Π u , 3 2 Π u , 1 2 Σ + u , and 1 2 Σ − u . The 2 Δ g and 2 Σ − u resonant states are identified and characterized. Comparisons are made with the very different resonance structure in the isoelectronic CO − anion. The present resonance analysis provides a starting point for studies of the vibrational excitation, electron-impact dissociation, and other resonance-driven phenomena in N 2 .

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