The diffraction of H2, D2 from solid LiF
β Scribed by George Wolken Jr.
- Publisher
- Elsevier Science
- Year
- 1973
- Tongue
- English
- Weight
- 634 KB
- Volume
- 21
- Category
- Article
- ISSN
- 0009-2614
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β¦ Synopsis
The collision of Hz and Dz molecules with the (001) face of LiF is studied theoreticaLly using the close coupling formalisrn.The methodincludes excited states of the diatomic molecule but negkcts all coupIings to phonons or the possibility of fragmentation of the incident molecule. Using a simple model potential a series of calculations for comparison with experimental data is carried out. Excellent agreement is obtained with the trends observed experimentally, and the quantitative agreement is also good.
π SIMILAR VOLUMES
The close-coupling wave packet method has been used for performing calculations on rotationally and diffractionally inelastic scattering of H2 from LiF( ), using a model potential. Inclusion of the quadrupole-ionic lattice interaction in the model leads to large differences between the diffraction o