Coupled electronic and structural relaxation pathways in the postexcitation dynamics of Rydberg states of BaArN clusters.
Phys Rev Lett
; 113(12): 123005, 2014 Sep 19.
Article
en En
| MEDLINE
| ID: mdl-25279627
We investigate, theoretically, the joint relaxation of orbital and structure in postexcitation dynamics of Rydberg states of cluster BaArN (N=250). Mixed quantum-classical dynamics is used to account for the nonadiabatic transitions among more than 160 electronic states, represented via a diatomics-in-molecules Hamiltonian. The simulation illustrates the complex multistep relaxation processes and provides detailed insight in the mechanisms contributing to the final-time experimental photoelectron spectrum.
Buscar en Google
Colección:
01-internacional
Base de datos:
MEDLINE
Asunto principal:
Argón
/
Compuestos de Bario
/
Modelos Teóricos
Idioma:
En
Revista:
Phys Rev Lett
Año:
2014
Tipo del documento:
Article
País de afiliación:
Francia
Pais de publicación:
Estados Unidos