Comparison of boundary-value and initial-value methods for the accurate quantum-mechanical solution of the collinear reactive scattering problem
โ Scribed by D.J. Diestler; D.G. Truhlar; A. Kuppermann
- Publisher
- Elsevier Science
- Year
- 1972
- Tongue
- English
- Weight
- 623 KB
- Volume
- 13
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
โฆ Synopsis
Quantum-mechanical
nonreactive and reactive scattering probab$ti<s determined by two independent numerical methods for the collinear H + H2 reaction on a realistic potent&l-energy surface are iri very goad agreement. The results,therefore provide a reliable touchstone far other independent calculations.
๐ SIMILAR VOLUMES
## Abstract This work considers the methods for solving approximately the four types of boundary equations arising when the third initial boundary value problem of the theory of elasticity is solved with the help of retarded elastic potentials. The convergence of these methods is proved.