Semiclassical theory for diatom-diatom collisions
โ Scribed by Gert Due Billing
- Publisher
- Elsevier Science
- Year
- 1983
- Tongue
- English
- Weight
- 368 KB
- Volume
- 97
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
โฆ Synopsis
\ wntlc1.wic.d ~pproxh lo diatom-diatom collisions is presented. The method involves a classical treatment of the tr.m~ktionA .md rotdtiond motion of both molecules_ The vibrational degrees of freedom are quantized using a Morse os-cLIh:or .qqm~xin:~fion. The method is used fo e~aluare the accuracy of previous calculations based upon the ener~>worrccrrd lr.rr~llonic~,scillator rlppro3cII.
๐ SIMILAR VOLUMES
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.
For chemical reactions, R-matrix theory is demonstrated to be well suited both as a computational tool and [or investigations of the reaction mechanism. Transition probabilities are calculated for three dilferent potential surfaces and the results discussed in terms of resonance states.