Dicarbon Formation in Collisions of Two Carbon Atoms

Babb, James F.; Smyth, R. T.; McLaughlin, B. M.

doi:10.3847/1538-4357/ab1088

Title: Dicarbon Formation in Collisions of Two Carbon Atoms

Journal Article · Tue Apr 30 00:00:00 EDT 2019 · The Astrophysical Journal

DOI:https://doi.org/10.3847/1538-4357/ab1088· OSTI ID:1509933

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Abstract Radiative association cross sections and rates are computed, using a quantum approach, for the formation of C ₂ molecules (dicarbon) during the collision of two ground-state C( ³ P ) atoms. We find that transitions originating in the C ¹ Π _g , d ³ Π _g , and 1 ⁵ Π _u states are the main contributors to the process. The results are compared and contrasted with previous results obtained from a semiclassical 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.

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Research Organization:: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC)

Sponsoring Organization:: USDOE Office of Science (SC); National Science Foundation (NSF)

Grant/Contract Number:: AC02-05CH11231; PHY-1607396

OSTI ID:: 1509933

Alternate ID(s):: OSTI ID: 1528859

Journal Information:: The Astrophysical Journal, Journal Name: The Astrophysical Journal Vol. 876 Journal Issue: 1; ISSN 0004-637X

Publisher:: American Astronomical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 9 works

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79 ASTRONOMY AND ASTROPHYSICS
ISM: supernova remnants
molecular data
molecular processes

Title: Dicarbon Formation in Collisions of Two Carbon Atoms

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