A Theoretical Study of the Energetics and Dynamics of High Energy Inelastic Collision Processes.
Final rept. 1 Feb 81-14 May 83,
HARVARD UNIV CAMBRIDGE MASS DEPT OF CHEMISTRY
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The overall objective of this research program was to develop theoretical methods for improving the prediction of potential energy surfaces relevant to high energy inelastic collision processes. A diatomics-in-molecules approximation for constructing potential energy surfaces of excited electronic states of the prototypical triatomic hydrogen system was developed. A new approximation method was devised to estimate cross sections for inelastic or reactive collision processes from a rotating rigid rod model. These semiempirical approaches were complimented by a comprehensive statistical theory for vector properties of collisions, including all angular distributions describing the orientations of the initial and final relative velocity vectors andor the reactant and product rotational angular momentum vectors. Author
- Atomic and Molecular Physics and Spectroscopy