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Conical intersections multi-state effects

The present analysis relies on - and extends - the comprehensive theoretical study of Refs. [23,24] on the multi-state interactions in the manifold of the X — E states of Bz+. Like this recent work, it utilizes an ab initio quantum-dynamical approach. In Refs. [23,24] we have, in addition, identified strong coupling effects between the B — C and B — D electronic states, caused by additional conical intersections between their potential energy surfaces. A whole sequence of stepwise femtosecond internal conversion processes results [24]. Such sequential internal conversion processes are of general importance as is evidenced indirectly by the fluorescence and fragmentation dynamics of organic closed-shell molecules and radical cations [49,50]. It is therefore to be expected that the present approach and results may be of relevance for many other medium-sized molecular systems. [Pg.216]


See other pages where Conical intersections multi-state effects is mentioned: [Pg.216]    [Pg.369]    [Pg.266]    [Pg.272]    [Pg.255]    [Pg.558]    [Pg.197]    [Pg.457]    [Pg.29]    [Pg.286]   
See also in sourсe #XX -- [ Pg.624 ]




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