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- Title
Vibrationally-resolved excitation and dissociation collision strengths of AlO<sup>+</sup> by electron-impact using the R-matrix method.
- Authors
Kaur, Savinder; Baluja, Kasturi Lal; Singh, Jasmeet; Bharadvaja, Anand
- Abstract
The electron-impact calculations are reported for excitation and dissociation of AlO+ ion using the R-matrix method. Calculations are performed in the static-exchange (SE) and close-coupling (CC) approximation. Each target state in CC approximation is represented by a configuration interaction (CI) wavefunction that takes into account the correlation and polarisation effects. In CC approximation 14-target states are included in the trial wavefunction of the entire scattering system. Potential energy curves (PECs) for the first four low-lying states are generated using the basis functions 6-311G* wherein we obtain X1Σ+ as the ground state contrary to a3Π as stated elsewhere in literature. Scattering calculations are then performed to yield vibrationally-resolved electronic excitation collision strengths to the first three lowest excited states a3Π, A1Π and b3Σ+. Using more accurate PECs we calculated the Franck–Condon factors which were then employed to get the vibrationally-resolved electronic excitations and dissociation collision strengths for the fragment channel Al++O of the lowest three excited states a3Π, A1Π and b3Σ+. All scattering calculations are performed at the experimental bond length 1.6178 Å of AlO+. Rotational excitation cross sections (0→j, j = 1, 2 ... 5) have also been calculated and the corresponding rate coefficients have been evaluated for excitation and de-excitation by using the Maxwellian distribution function for electron temperature upto 5000 K. There are many Feshbach resonances detected in this work. We have analysed only the low-lying resonances below the excitation threshold of A1Π excited state. Beyond this threshold the resonance structure is too complex to analyse due to many overlapping resonances.
- Subjects
ELECTRON impact ionization; ELECTRONIC excitation; EXCITED states; FRANCK-Condon principle; ELECTRON distribution; ELECTRON temperature
- Publication
European Physical Journal D (EPJ D), 2019, Vol 73, Issue 7, pN.PAG
- ISSN
1434-6060
- Publication type
Article
- DOI
10.1140/epjd/e2019-90581-6