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.
|Number of pages||9|
|Journal||The Astrophysical Journal|
|Publication status||Published - 30 Apr 2019|
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R-matrix calculations in support of diagnostics for fusion and astrophysical plasmasAuthor: Smyth, R., Jul 2020
Supervisor: Ramsbottom, C. (Supervisor) & Ballance, C. (Supervisor)
Student thesis: Doctoral Thesis › Doctor of PhilosophyFile