Time-dependent description of the predissociation of N2+ in the C 2 Σu+ state
The predissociation of the N2+ molecular ion in the C 2Σu+ electronic state through the nonadiabatic coupling with the B 2Σu+ electronic state is studied by solving the Schrödinger equation. The predissociation rates are calculated using Fermi's golden rule and compared with experimental result...
- Autores:
- Tipo de recurso:
- Fecha de publicación:
- 2016
- Institución:
- Universidad de Medellín
- Repositorio:
- Repositorio UDEM
- Idioma:
- eng
- OAI Identifier:
- oai:repository.udem.edu.co:11407/3122
- Acceso en línea:
- http://hdl.handle.net/11407/3122
- Palabra clave:
- Electronic states
Fourier analysis
Gold
Probability density function
Dinger equation
Fermi's Golden Rule
Frequency dependencies
Non-adiabatic coupling
Nuclear dynamics
Pre-dissociation
Probability densities
Strong correlation
Dynamics
- Rights
- restrictedAccess
- License
- http://purl.org/coar/access_right/c_16ec
| Summary: | The predissociation of the N2+ molecular ion in the C 2Σu+ electronic state through the nonadiabatic coupling with the B 2Σu+ electronic state is studied by solving the Schrödinger equation. The predissociation rates are calculated using Fermi's golden rule and compared with experimental results. We characterize the dynamics by calculating the nuclear probability density ρ(R,t), the nuclear flux density j(R,t), and the two-electron flux density j(r1,r2,t). It is found that at the early dynamics, t≤100 fs, Fermi's golden rule breaks down, while a strong correlation between the electronic and nuclear dynamics is observed. Fourier analyses of the probability and flux densities are also presented and yield insight in their frequency dependency. © 2016 American Physical Society. |
|---|