Abstract
Reactive Infinite Order Sudden Approximation calculations have been performed using a computational procedure restructured to run on parallel computers. Computationally intensive sections of the code are analyzed and speedups obtained from a parallel restructuring discussed. The significant speedup obtained on a shared-memory parallel machine has allowed us to perform extensive calculations of the energy dependence of the integral and differential reactive cross sections of the Li+HCl system. A comparison with results of a quasiclassical and an experimental study is also performed.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.