Rydberg states triplet

Figure 9.1. Potential energy diagram for the electronic states of ethylene N, ground state (w)2 r(3Biu) first excited triplet state (mr ) V, first excited singlet state (wir ) Z, two-electron excitation (w )2. For the ion C2H + R and R, Rydberg states, /, / ground and excited states. [From Ref. 2(c).]...

The same conclusion can be drawn from the results obtained for excited states of H2. As an example, in Table VI the energies for the unbounded lowest triplet b state obtained using ECG, KW, Hy-CI and conventional Cl are compared. For higher excited (Rydberg) states the difference between energies calculated using explicitly correlated functions and Cl function becomes smaller since the importance of the effect of electron correlation is decreasing. 

The HF calculations find the planar V state to be Rydberg-like. ji-CI calculations gave results similar to those found by Buenker et al.203 The transition energy AE( V-N) = 8 eV which is slightly lower than the SCF result. However, the V state is not found to be valence like, although the Cl decreases the size by ca. 30%, it still has a much more diffuse distribution than the triplet state x2> ca. 12 Bohr2), but it is not a normal Rydberg state. 

Figure 3. The derivative of transmitted current in ethylene showing the resonances associated with the lowest singlet (S) and triplet (T) Rydberg states.

First-principle simulations of the excitation dynamics, charge localization, and charge transport in liquid hydrocarbons. Are there excitons, Rydberg states, and exciplexes in liquid hydrocarbons What are the mechanisms for localization of electrons and holes in non-polar liquids What is the mechanism for rapid diffusion of holes and excited states What determines the fragmentation pathways of triplet and singlet excited states ... 

As to triplet states, for Rydberg states they are very close to the corresponding singlet and they are seldom considered separately. For valence-shell transitions they, of course, require a separate study. For this, mercury sensitization has been successfully applied in many cases In the case of ethylene the main primary process is still H2 formation, both 1,1 and 1,2. 

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