Inelastic cross sections and rate coefficients for collisions between CO and H2

Christina Castro, Kyle Doan, Michael Klemka, Robert C. Forrey, Benhui Yang, Phillip C. Stancil, N. Balakrishnan

Research output: Contribution to journalArticle

3 Scopus citations

Abstract

A five-dimensional coupled states (5D-CS) approximation is used to compute cross sections and rate coefficients for CO+H2 collisions. The 5D-CS calculations are benchmarked against accurate six-dimensional close-coupling (6D-CC) calculations for transitions between low-lying rovibrational states. Good agreement between the two formulations is found for collision energies greater than 10 cm−1. The 5D-CS approximation is then used to compute two separate databases which include highly excited states of CO that are beyond the practical limitations of the 6D-CC method. The first database assumes an internally frozen H2 molecule and allows rovibrational transitions for v ≤ 5 and j ≤ 30, where v and j are the vibrational and rotational quantum numbers of the initial state of the CO molecule. The second database allows H2 rotational transitions for initial CO states with v ≤ 5 and j ≤ 10. The two databases are in good agreement with each other for transitions that are common to both basis sets. Together they provide data for astrophysical models which were previously unavailable.

Original languageEnglish (US)
Pages (from-to)47-58
Number of pages12
JournalMolecular Astrophysics
Volume6
DOIs
StatePublished - Mar 1 2017

All Science Journal Classification (ASJC) codes

  • Astronomy and Astrophysics
  • Spectroscopy
  • Physical and Theoretical Chemistry
  • Space and Planetary Science

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