| Autor: |
Vranckx, S., Loreau, J., Vaeck, N., Meier, C., Desouter-Lecomte, M. |
| Předmět: |
|
| Zdroj: |
Journal of Chemical Physics; 2015, Vol. 143 Issue 16, p1-10, 10p, 1 Chart, 12 Graphs |
| Abstrakt: |
The photodissociation and laser assisted dissociation of the carbon monoxide dication X³Π CO2+ into the ³Σ- states are investigated. Ab initio electronic structure calculations of the adiabatic potential energy curves, radial nonadiabatic couplings, and dipole moments for the X ³Π state are performed for 13 excited ³Σ- states of CO2+. The photodissociation cross section, calculated by time-dependent methods, shows that the C+ + O+ channels dominate the process in the studied energy range. The carbon monoxide dication CO2+ is an interesting candidate for control because it can be produced in a single, long lived, v = 0 vibrational state due to the instability of all the other excited vibrational states of the ground ³Π electronic state. In a spectral range of about 25 eV, perpendicular transition dipoles couple this ³Π state to a manifold of ³Σ- excited states leading to numerous C+ + O+ channels and a single C2+ + O channel. This unique channel is used as target for control calculations using local control theory. We illustrate the efficiency of this method in order to find a tailored electric field driving the photodissociation in a manifold of strongly interacting electronic states. The selected local pulses are then concatenated in a sequence inspired by the "laser distillation" strategy. Finally, the local pulse is compared with optimal control theory. [ABSTRACT FROM AUTHOR] |
| Databáze: |
Complementary Index |
| Externí odkaz: |
|
