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Pseudorotation radial coordinate

The angle p is referred to as the angular pseudorotation coordinate, and the distance g as the radial coordinate. [Pg.105]

Figure 1. Intramolecular vibrational density redistribution IVR of Na3 Figure 1. Intramolecular vibrational density redistribution IVR of Na3<B). The three-dimensional (3d) ab initio dynamics of the representative wavepacket B(QS, r,<p, t) is illustrated by equidensity contours pB(QSyr,ip) = B(QS, r,ip, t) 2 = const in vibrational coordinate space Qs, Qx = r cos <p, Qy = r sin ip for the symmetric stretch and radial (r) plus angular (<p) pseudorotations, viewed along the Qy axis. The IVR is demonstrated exemplarily by four sequential snapshots for the case where the initial wavepacket (r = 0) results from a Franck-Condon (FC) transition Na3(X) - Naj( ) similar results are obtained for the 120-fs laser pulse excitation (X = 621 nm, / = 520 MW/cm2) [1,4, 5]. The subsequent dynamics in vibrational coordinate space displays apparent vibrations along the symmetric stretch coordinate Qs (Tj = 320 fs), followed by intramolecular vibrational density redistribution to the other, i.e., pseudorotational vibrational degrees of freedom. This type of IVR does not imply intramolecular vibrational energy redistribution between different vibrational states of Na3(B), i.e., the wavepacket shown has the same expansion, Eq. (1), for all times. The snapshots are taken from a movie prepared by T. Klamroth and M. Miertschink.
See other pages where Pseudorotation radial coordinate is mentioned: [Pg.79]    [Pg.276]    [Pg.277]    [Pg.278]    [Pg.25]    [Pg.68]    [Pg.70]    [Pg.1150]    [Pg.277]   
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