Coupled states and infinite order sudden approximations to the body frame wavefunction
New CS and IOS approximations to the total angular momentum body frame radial wavefunction psi/sup J/(jlambdavertical-barj/sub 0/m/sub 0/vertical-barR) are derived. The new expressions for psi/sub CS//sup J/(jlambdavertical-barj/sub 0/m/sub 0/vertical-bar R) and psi/sub IOS//sup J/(jlambdavertical-barj/sub 0/m/sub 0/vertical-barR) are not diagonal in lambda, m/sub 0/ and they lead to the proper exact solution when the potential is set equal to zero. In addition, since psi/sup J//sub CS/ and psi/sup J//sub IOS/ are linear combinations of psi/sub l m/0(jvertical-barj/sub 0/vertical-barR) and psi/sup IOS//sub l m/0(jvertical-barj/sub 0/vertical-barR) for all l satisfying vertical-barJ-jvertical-bar< or =l< or =J+j, one expects improved behavior for larger J (especially for elastic elements where j=j/sub 0/). It is explicitly shown that the present nondiagonal expressions for psi/sup J//sub CS/(jlambdavertical-barj/sub 0/m/sub 0/vertical-barR) are consistent with the Shimoni--Kouri expressions for the bodyframe T matrix T/sup J//sub CS/(jlambdavertical-barj/sub 0/m/sub 0/), which is also not diagonal in lambda, m/sub 0/. The present results are expected to provide the basis of an improved CS and IOS theory of reactive scattering.
- Research Organization:
- Departments of Physics and Chemistry, University of Houston, Houston, Texas 77004
- OSTI ID:
- 5421298
- Journal Information:
- J. Chem. Phys.; (United States), Vol. 67:10
- Country of Publication:
- United States
- Language:
- English
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