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Coordinates for an optimum CS approximation in reactive scattering

✍ Scribed by Russell T. Pack

Publisher
Elsevier Science
Year
1984
Tongue
English
Weight
485 KB
Volume
108
Category
Article
ISSN
0009-2614

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✦ Synopsis

Coordinates

for reactive scattering in three dimensions are variationally derived to swing smoothly from reactants IO products.

Thcsc adiabatically adjustin:, principal asis, hyperspherical

(APH) coordinates are orthogonal. have a simple kinetic energy operator. and nliow an optimum centrifugal sudden (CS) approximation; that is, they minimize the coupling ncglccted by the CSA and also LIIIO~V optimum I parameters.

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