Semi-classical calculations of rate constants for vibrational transitions in hydrogen
โ Scribed by G.D. Billing; R.E. Kolesnick
- Publisher
- Elsevier Science
- Year
- 1993
- Tongue
- English
- Weight
- 315 KB
- Volume
- 215
- Category
- Article
- ISSN
- 0009-2614
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โฆ Synopsis
New analytical tits to recent ab lmtio CI and SCF data for the Hz-H2 interaction are presented and senu-classaal calculations of the rate constants for vibration-translation and vibrauon-vibration energy transfer are compared with expenmental data
๐ SIMILAR VOLUMES
Calculations of the probabilities of vibrational transitions PI\_ 0 have heen made for HX molecules (X is F. Cl, Br, I) for their collisions with HX, H2, He, Ar. The rotational anisotropy of the intermolecular potential was taken into account. A diagram of electronic density for the HF molecules was
19397 words (including RANDU) Nature ofphysical problem No. of bits in a word: 36 Translational and rotational degrees of freedom are treated by classical mechanics whereas the vibrational motion of the di-No. of lines in combined program and test deck: 946 atom is quantized.
Vibration-vibration (V-V) exchange rate constants in nitrogen have been calculated using the integral quasiclassical representation method over a wide temperature range. Four different model intermolecular potentials arc used. Comparison with experimental data and with calculations using other semic