INDEX excited electronic states

Here it is x9 = ( /f and xe = wet where the index a has been omitted. Combining the sinh with the last term hafjlkT in the bracket and restricting again to low temperature where no higher levels in the excited electronic state are occupied, i.e. m = 0, the righthand side of Eq. (32) becomes... 

The time-dependent wavepacket constructed in Section 4.1 is not the wavepacket that a laser with finite duration creates in the excited electronic state. It represents the wavepacket created by a pulse with infinitely narrow width in time. In order to construct the real wavefunction of the molecular system we must go back to Section 2.1. For simplicity of presentation, let us consider a diatomic molecule with internuclear separation R. We assume that the excitation takes place from the electronic ground state (index 0) to a bound upper state (index 1). The extension to a dissociative state, several coupled excited states, or several degrees of freedom is formally straightforward. 

An overview of the energetics and possible depletion mechanisms of excited electronic states is named a Jablonski diagram. Herein, singlet states are symbolized by So, Si, S2, and so on, and triplets by T0, Ti, T2, and so on, where the index labels their energetic order and should not be confused with tensor components. A typical Jablonski diagram for an organic molecule is shown in Figure 19. 

The energy and structure parameters listed in the tables of this review belong in general to the v=0 vibrational state their notation is r0 for the interatomic distance, T0 for the 0-0 excitation energy. Vibrational frequencies v" are those of the lower (usually ground) state while v is the notation for the upper electronic states. Equilibrium parameters refering to the potential minimum and only available for diatomics are indexed by e (re, coe,xe). toe, xe and vv are connected by the equation... 

Using LIF detected OODR techniques Koperski and Czajkowski [03Kop] have investigated the electronic state which shows a deep potential well at 284 pm and a shallow one near 560 pm. Starting from the AO o = 0 vibronic ground state some series of levels have been excited via the intermediate levels A0 = 5 or / lo" =o,i,2 The parameters determined for the first minimum carry the index in, for the second one the index out in the listing below. 

In Eq. (7.1), states A and B are the two electronic states ground and excited states associated with the conical intersection, is the yth mass-weighted Cartesian coordinate of the t th atom, the index i labels the N atoms and y the Cartesians components, x, y, and z. These quantities are in principle obtainable only from a theoretical calculation. Nevertheless, as we shall discuss subsequently, they have a simple interpretation and one can often make a reasonable guess as to the nature of these two vectors using qualitative valence bond theory. 

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