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I-D Applications of the Zhu-Nakamura Theory to Electronically Nonadiabatic Chemical Dynamics
| Content Provider | Semantic Scholar |
|---|---|
| Author | Oloyede, Ponmile Nakamura, Hiroki Ushakov, Vladimir G. |
| Copyright Year | 2004 |
| Abstract | The Zhu-Nakamura theory was proved to work well within the TSH (trajectory surface hopping) scheme in the case of DH2 which presents a typical example of crossing seam type chemical reactions. It was found that the classically forbidden nonadiabatic transitions which cannot be treated by the Landau-Zener theory play important roles. In the present work the similar kind of analysis is carried out for a triatomic model reaction system of conical intersection. By doing this we would like to establish a general TSH method applicable to high dimensional systems. |
| File Format | PDF HTM / HTML |
| Alternate Webpage(s) | https://www.ims.ac.jp/en/about/publication/ann_rev_2003/ar200313.pdf |
| Language | English |
| Access Restriction | Open |
| Content Type | Text |
| Resource Type | Article |