Journal
PHYSICAL REVIEW A
Volume 105, Issue 6, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevA.105.062824
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Funding
- China Scholarship Council [202006240163]
- National Key R&D Program of China [2017YFA0303600]
- NSFC [11974253]
- funding Science Speciality Program of Sichuan University [2020SCUNL210]
- UK STFC [ST/R005133/1]
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Quasibound states of the nitrogen molecular anion are studied using ab initio R-matrix theory and a close-coupling model, identifying and characterizing different resonance states and comparing with the resonance structure in the CO- anion.
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 Pi(g) shape resonance, one 1 (2)Sigma(+)(g) Feshbach resonance, as well as six core-excited resonances involving 1 (2)Delta(g), 1 (2)Pi(u), 2 (2)Pi(u), 3 (2)Pi(u), 1 (2)Sigma(+)(u), and 1 (2)Sigma(-)(u). The (2) Delta(g) and (2)Sigma(-)(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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