Abstract
Radiative association cross sections and rates are computed, using a quantum approach, for the formation of C2 molecules (dicarbon) during the collision of two ground state C(3P) atoms. We find that transitions originating in the C 1Πg, d 3Πg, and 15Πu states are the main contributors to the process. The results are compared and contrasted with previous results obtained from a semi-classical approximation. New ab initio potential curves and transition dipole moment functions have been obtained for the present work using the multi-reference configuration interaction approach with the Davidson correction (MRCI+Q) and aug-cc-pCV5Z basis sets, substantially increasing the available molecular data on dicarbon. Applications of the current computations to various astrophysical environments and laboratory studies are briefly discussed focusing on these rates.
Original language | English |
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Number of pages | 9 |
Journal | The Astrophysical Journal |
Volume | 876 |
Issue number | 1 |
DOIs | |
Publication status | Published - 30 Apr 2019 |
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R-matrix calculations in support of diagnostics for fusion and astrophysical plasmas
Author: Smyth, R., Jul 2020Supervisor: Ramsbottom, C. (Supervisor) & Ballance, C. (Supervisor)
Student thesis: Doctoral Thesis › Doctor of Philosophy
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