Information theoretic analysis of the ro-vibrational de-excitation of H2 and D2 in collisions with Li+ and He
โ Scribed by Millard H. Alexander
- Publisher
- Elsevier Science
- Year
- 1976
- Tongue
- English
- Weight
- 375 KB
- Volume
- 40
- Category
- Article
- ISSN
- 0009-2614
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โฆ Synopsis
The information theoretic approach is used to analyse a series of quantum cross sections for the &-excitation of the n = 1 level of Hz and D2 by collisions with Li' and He. Surprisa! plots of the ratio of computed to prior cross sections show significant deviations from linearity over a wide range of collision energies, which reflects the extreme non-classical nature of the retwation process.
๐ SIMILAR VOLUMES
Cross secfiws and rate constants for the vibrat$onal Maxation of H&J = I,i= I) in collisions with 4He were determined using the coupled states method with a fulIy-converged channel basis. The interaction potential was taken to be that of Gordon and Secrest with the elastic matrix elements modified t
The relative populations of vibrational levels in the A 2nu state of CO; were derived from measured band intensities of the CO; A 2Qr -+ X 2"g emission system excited by charge transfer collisions of 100-5000 eV Hz and He+ ions with COa. At relative laboratory velocities above 4 X 10' cm/set the vib
The vibrational relaxation of ortho-para-Hz in collisions with 4He has been studied in the interval 300-50 K. At 300 K the ortho Hz -He and para Hz-He rates are identical within experimental error. In the low temperature range ko~z\_~e
Fully converged quantum cross sections for 4He-D2 (u= l,i=O) vibrational reliaxation were determined using the coupled-states method and a modikied version of the Gordon-Secrcst surface. First-order forbidden rotational transitions play a si@fkant role, comparable to that observed previously for the
Self-consistent-field (SCF) and second-order MDller-Plesset (MP2) calculations, using large basis sets, have been carried out for the system X2...Y+, with X= H, D, and N and Y =Li and Na. In particular, the fundamental vibrational frequency shifts and intensities induced in the diatomic by the catio