Calculations relating to the experimental observation of resonances in the H+H2 reaction

✍ Scribed by D.E. Manolopoulos; R.E. Wyatt

• Publisher: Elsevier Science
• Year: 1989
• Tongue: English
• Weight: 667 KB
• Volume: 159
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(89)87394-4

✦ Synopsis

The log derivative version of the Kohn variational principle is used to calculate both integral and differential cross sectlons for H+H,(v=O,j=O)-+H,(v'=l,j'=1,3)+HintheenergyrangeE ,,,,,=0.95-1.35 eV. The computed integral cross sectionsagree very well with the earlier results of Zhang and Miller, providing strong evidence for the reliability of both calculations. The computed differential cross sections exhibit certain resonant structure in the neighbourhood of the backward direction (8= 1 SO" ), but this structure does not bear much relation to the recent experimental results of Nieh and Valentini. Several possible sources of error in the present "ab initio" quantum scattering calculations are carefully reviewed.