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Quantum-mechanical cross sections for the D + H2 and H + D2 reactive systems. Application of the negative imaginary potentials within the jz approximation: (Chem. Phys. Letters 212 (1993) 649)


Publisher
Elsevier Science
Year
1993
Tongue
English
Weight
32 KB
Volume
215
Category
Article
ISSN
0009-2614

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โœฆ Synopsis


An error was detected in fig. where quantum-mechanical cross sections were compared with quasi-classical trajectory ones. The quasi-classical results were cited from ref.

[ 1 ] and not from the one specified in the publication.


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Quantum-mechanical cross sections for th
โœ A. Baram; I. Last; M. Baer ๐Ÿ“‚ Article ๐Ÿ“… 1993 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 382 KB

We discuss a new quantum-mechanical approximation to calculate atom-diatom exchange state-to-state cross sections. The method is based on the coupling of the jz approximation with negative imaginary potentials (NIPS). The NIPS produce absorbing boundary conditions which permit the application of L2