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Comparison of boundary-value and initial-value methods for the accurate quantum-mechanical solution of the collinear reactive scattering problem

โœ 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

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โœฆ 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.


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## 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.