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Recursive generation of individual S-matrix elements: Application to the collinear H + H2 reaction

โœ Scribed by Michael D'Mello; Csilla Duneczky; Robert E. Wyatt

Publisher
Elsevier Science
Year
1988
Tongue
English
Weight
634 KB
Volume
148
Category
Article
ISSN
0009-2614

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โœฆ Synopsis

It is shown that individual (state-to-state) S-matrix elements can be generated from the 1,l element of the inverse of a small tridiagonal matrix. The tridiagonal matrix is produced via the Lanczos algorithm from discretized integral equations for the amplitude density. The convergence of 1 S,., I* for the collinear H + Hz reaction is shown graphically.

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