Document Type


Source Publication Title

Technical Report 275


Simulations are made of prototype, ground state, rapid kinetic reactions for A+BC, in which B, and C are hydrogen atoms and BC is a hydrogen molecule. We study cases in which B and C first unbind, and then A, B, and C undergo complex, three-body, oscillatory behavior in accordance with the Morse potential. It is shown that, in every case, one of A, or C is ejected and the remaining two atoms form an H2 bond with precisely correct ground state energy, frequency, and bond length. Pico second trajectories are described and discussed. The numerical method employed conserves the system's total energy at each time step.


Mathematics | Physical Sciences and Mathematics

Publication Date




Included in

Mathematics Commons



To view the content in your browser, please download Adobe Reader or, alternately,
you may Download the file to your hard drive.

NOTE: The latest versions of Adobe Reader do not support viewing PDF files within Firefox on Mac OS and if you are using a modern (Intel) Mac, there is no official plugin for viewing PDF files within the browser window.