2011/04/29 by S. Miyake, C. Gay, C. D. Gay +1 · 1 citation
Chemistry · Physics and Astronomy · #Ab initio #Ab initio quantum chemistry methods #Advanced Chemical Physics Studies #Astrophysics and Star Formation Studies #Atomic and Molecular Physics #Atomic physics #Chemistry #Dipole #Excited state #Ground state #Infrared #Molecule #Optics #Photodissociation #Physics #Rotational–vibrational spectroscopy #astro-ph.CO #astro-ph.GA
paper · pdf · doi:10.1088/0004-637x/735/1/21
arxiv created 2011/04/29 · openalex publication_date 2011/06/09 · arxiv updated 2015/05/28 · openalex created_date 2019/07/30 · openalex updated_date 2026/08/05
Accurate photodissociation cross sections have been obtained for the A 1 Σ + ← X 1 Σ + electronic transition of HeH + using ab initio potential curves and dipole transition moments. Partial cross sections have been evaluated for all rotational transitions from the vibrational levels v '' = 0–11 and over the entire accessible wavelength range λλ100–1129. Assuming a Boltzmann distribution of the rovibrational levels of the X 1 Σ + state, photodissociation cross sections are presented for temperatures between 500 and 12,000 K. A similar set of calculations was performed for the pure rovibrational photodissociation in the X 1 Σ + electronic ground state, but covering photon wavelengths into the far-infrared. Applications of the cross sections to the destruction of HeH + in the early universe and in UV-irradiated environments such as primordial halos and protoplanetary disks are briefly discussed.