Control of nonadiabatic transition in NaCl

The initial distance of the two atoms and the colhsion energy is set to 22.67 (Bohr) and 1.13415 (hartree) ( = 30.86 eV), respectively. Two cases of independent asymptotic electronic wavefunctions were studied, namely, the states of Na + Cl and Na+ + Cl.  

As an analysis of this laser control of chemical reaction in terms of electron dynamics, in Figs. 8.5 and 8.6 we present the snapshots of electron current flux and corresponding time derivative of electron density at the time 15 and 25 fs for the cases with the pulse width = 4.84 fs starting from the asymptotic ground (Na+Cl) and first excited (Na+- -Cl ) states. Due to the non-resonance for electronic transition as well as medium strength of the laser field, complicated interference patterns are found in the spatial distribution of the flux and in the time derivative of electron density. 

Through a careful systematic classification of these quantum behaviors, it will become possible to predict the correlation between the laser field 

Chemical Theory Beyond the Born-Oppenheimer Paradigm 

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