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Robust existence of a reaction boundary to separate the fate of a chemical reaction.
| Content Provider | Semantic Scholar |
|---|---|
| Author | Kawai, Shinnosuke Komatsuzaki, Tamiki |
| Copyright Year | 2010 |
| Abstract | Nonlinear dynamics around a rank-one saddle is investigated in a high energy regime above the reaction threshold. The transition state (TS) is considered as a surface of a "point of no return" through which all reactive trajectories pass only once in the process of climbing over the saddle before being captured in the product state. A no-return TS ceases to exist above a certain high energy regime. However, even at high energies where the no-return TS can no longer exist, it is shown that "an impenetrable barrier" in the phase space robustly persists, which acts as a boundary between reactive and nonreactive trajectories. This implies that we can yet predict the fate of reactions even when the no-return TS may not exist. As an example, we show the analysis of dynamical systems theory for a hydrogen atom in crossed electric and magnetic fields. |
| Starting Page | 048304 |
| Ending Page | 048304 |
| Page Count | 1 |
| File Format | PDF HTM / HTML |
| DOI | 10.1103/PhysRevLett.105.048304 |
| PubMed reference number | 20867892 |
| Journal | Medline |
| Volume Number | 105 |
| Issue Number | 4 |
| Alternate Webpage(s) | http://eprints.lib.hokudai.ac.jp/dspace/bitstream/2115/43651/1/PRL105-4_048304.pdf |
| Alternate Webpage(s) | https://eprints.lib.hokudai.ac.jp/dspace/bitstream/2115/43651/1/PRL105-4_048304.pdf |
| Alternate Webpage(s) | https://doi.org/10.1103/PhysRevLett.105.048304 |
| Journal | Physical review letters |
| Language | English |
| Access Restriction | Open |
| Content Type | Text |
| Resource Type | Article |
