β Scribed by Aron Kuppermann; George C. Schatz; John P. Dwyer
No coin nor oath required. For personal study only.
Two methods for implementing angular momentum decoupling approximations in quantum mechanical reactive scattering are examined. Applications to both reactive and nonreactive H + H2 collisions indicate that for the most intense individual reactive transitions and for all degeneracy-averaged ones, these decoupling methods (especially the "proper** decoupling method) yield results in good agreement with those of fully-coupled calculations. However, for the less intense reactive transitions and all individual nonreactive transitions, very large errors can result from use of these approximate methods. * Research supported in part by a grant (No. 73-25 39) from the Air Force Office of Scientific Research. ** Work performed in partial fulfllment of the requirements for the Ph.D. degree in Chemistry from the California Institute of Technology.
π SIMILAR VOLUMES
This work presents a quantum mechanical numerical study of the reactions F + H 2 (v = 0, j = 0-4) ~ HF + H carried out on the T5A potential energy surface. The calculations were performed within the Jz approximation and employed negative imaginary potentials, yielding state-selected cross sections a
## Abstract We present in this paper a new finite element formulation of geometrically exact rod models in the threeβdimensional dynamic elastic range. The proposed formulation leads to an objective (or frameβindifferent under superposed rigid body motions) approximation of the strain measures of t