Redundant coordinates in the harmonic approximation
β Scribed by M. Gussoni; G. Zerbi
- Publisher
- Elsevier Science
- Year
- 1968
- Tongue
- English
- Weight
- 433 KB
- Volume
- 2
- Category
- Article
- ISSN
- 0009-2614
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π SIMILAR VOLUMES
We suggest a method for calculating the rates of reactions involving adsorbates on the surfaces of a semi-infinite solid. The method makes use of multidimensional quantum transition-state theory to obtain an expression for the rate. Using the harmonic approximation, one can take into account all vib
## 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 centrifug