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The diffraction of H2, D2 from solid LiF

✍ 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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✦ 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.


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Prediction of large differences in diffr
✍ G.J. Kroes; R.C. Mowrey πŸ“‚ Article πŸ“… 1995 πŸ› Elsevier Science 🌐 English βš– 669 KB

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