Rydberg states dynamics

FROM RYDBERG STATE DYNAMICS TO ION-MOLECULE REACTIONS USING ZEKE SPECTROSCOPY... 

We emphasize that the Rydberg states are included in the variational MCSCF treatment in order not to be undercorrelated relative to the valence states [48,49], Furthermore, it is seen that all the previous distributions are coupled to diexcitations from the oco to the oco orbital that way, we account for the non-dynamical repolarization of the polar acobond in a GVB-like approach. 

STATE-TO-STATE DYNAMICS OF ELEMENTARY CHEMICAL REACTIONS USING RYDBERG H-ATOM... 

Electronic states and photodissociation dynamics of chloromethyl radical have been studied recently.114-117 Because of the chlorine substitution, there are several low-lying valence excited states (such as l2Ai and 22Bi, which mainly involve the orbitals on the CC1 bond) in addition to the 3s Rydberg state (22Ai), and more dissociation channels are available. 

A femtosecond time-resolved study of reactions following excitation of 1,3-dibro-mopropane to a (n,5p) Rydberg state uncovered a striking instance of coherent dynamics in a relatively large molecular environment, one characterized by 27 internal degrees of freedom. ... 

By using a full panoply of theory—time-dependent density functional theory and CASSCF and CASMP2 ab initio methods—the states and potential-energy surface features associated with the dynamics were uncovered. The high-energy excitation of acetone gives several excited Rydberg states that reach the S2( , 3i) surface in... 

Probing reaction dynamics with Rydberg states The ring opening reaction of 1,3-cyclohexadiene... 

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