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Initial relaxation direction, IRD

Infinite-order sudden approximation (IOSA), electron nuclear dynamics (END), molecular systems, 345-349 Initial relaxation direction (IRD), direct molecular dynamics, theoretical background, 359-361 Inorganic compounds, loop construction, photochemical reactions, 481-482 In-phase states ... [Pg.82]

Figure 14 Illustration of the general procedure used to locate the initial relaxation direction (IRD) toward the possible decay products, (a) General photochemical relaxation path leading (via conical intersection decay) to three different final structures, (b) Potential energy surface for a model elliptic conical intersection plotted in the branching plane, (c) Corresponding energy profile (as a function of the angle a) along a circular cross section centered on the conical intersection point and with radius d. Figure 14 Illustration of the general procedure used to locate the initial relaxation direction (IRD) toward the possible decay products, (a) General photochemical relaxation path leading (via conical intersection decay) to three different final structures, (b) Potential energy surface for a model elliptic conical intersection plotted in the branching plane, (c) Corresponding energy profile (as a function of the angle a) along a circular cross section centered on the conical intersection point and with radius d.
See other pages where Initial relaxation direction, IRD is mentioned: [Pg.254]    [Pg.359]    [Pg.104]    [Pg.114]    [Pg.135]    [Pg.69]    [Pg.359]    [Pg.254]    [Pg.359]    [Pg.104]    [Pg.114]    [Pg.135]    [Pg.69]    [Pg.359]    [Pg.71]    [Pg.100]   
See also in sourсe #XX -- [ Pg.32 , Pg.69 , Pg.70 , Pg.71 , Pg.72 , Pg.73 , Pg.74 , Pg.75 , Pg.76 , Pg.77 , Pg.78 , Pg.79 , Pg.100 ]



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