| Autor: |
Manabu, Kanno, Toshiaki, Maeda, Yuji, Nakashima, Fuminori, Misaizu, Hirohiko, Kono |
| Rok vydání: |
2021 |
| Zdroj: |
The Journal of chemical physics. 154(16) |
| ISSN: |
1089-7690 |
| Popis: |
Our recently developed trajectory surface hopping method uses numerical time derivatives of adiabatic potential gradients to estimate the nonadiabatic transition probability and the hopping direction. To demonstrate the practicality of the novel method, we applied it to the intermolecular photodissociation of a carbon dioxide dimer cation (CO |
| Databáze: |
OpenAIRE |
| Externí odkaz: |
|
