Exact quantum mechanical reaction probabilities for the collinear H + H$sub 2$ reaction on a Porter--Karplus potential energy surface
Journal Article
·
· Chem. Phys. Lett., v. 23, no. 3, pp. 327-330
OSTI ID:4382272
Exact quantum mechanical calculations of the reaction probability for the collinear H + H/sub 2/ reaction on a Porter--Karplus potential energy surface are carried out by the finite-difference boundary value method at 6 energies in the threshold region and compared to close coupling, distorted wave, classical S matrix, transition state theory, and vibrationai adiabatic calculations. (auth)
- Research Organization:
- Univ. of Minnesota, Minneapolis
- NSA Number:
- NSA-29-016807
- OSTI ID:
- 4382272
- Journal Information:
- Chem. Phys. Lett., v. 23, no. 3, pp. 327-330, Journal Name: Chem. Phys. Lett., v. 23, no. 3, pp. 327-330; ISSN CHPLB
- Country of Publication:
- Country unknown/Code not available
- Language:
- English
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