A new numerical method for collinear quantum reactive scattering using delves' coordinates: application to the H + H2(n ⩽ 7) → H2(m ⩽ 7) + H reaction

✍ Scribed by D.K. Bondi; J.N.L. Connor

• Publisher: Elsevier Science
• Year: 1982
• Tongue: English
• Weight: 267 KB
• Volume: 92
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(82)83652-x

✦ Synopsis

A new numerical method for quantum collinear chemical reactions using Delves' coordinates is described. The method used R-matrix propagation along the radial coordinate and a Delves'-cartesian coordinate transformation for the R matrix in the asymptotic region. Application is made to the H + H2(n < 7) ~ H2(m < 7) + H reaction.