By Ilya Prigogine, Stuart A. Rice
The Advances in Chemical Physics sequence presents the chemical physics box with a discussion board for severe, authoritative reviews of advances in each sector of the self-discipline. quantity 121 comprises the newest learn on polymer melts at stable surfaces, infrared lineshapes of susceptible hydrogen bonds, ab initio quantum molecular dynamics, and plenty of different matters.
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Additional resources for Advances in Chemical Physics Vol. 121
From Eq. 40) we can see that to determine the temperature dependence of ET rates, we need to know the electronic energy gap oif and the vibrational modes (oi and Si ) involved in ET. Using the Si and oi values given in Table VI, we calculated the temperature dependence of ET rates as a function of energy gaps oif . The results are shown in Fig. 12 . From Fig. 12 we can see that we can indeed theoretically reproduce the temperature-dependent behaviors of ET rates observed experimentally. The Figure 12.
Another feature of rab is that it is oscillatory with the oscillatory frequency related to the energy difference ðEb À Ea Þ="h. From the uncertainty principle ÁEÁt $ " h, we can see that when an ultrashort pulse is used (Át small), ÁE is very large; this means that a great number of states are coherently (or simultaneously) populated. That is, coherences are created and because of these coherences, in fs experiments quantum beat is often observed. ^. Notice that Next we discuss the properties of r Trð^ rÞ ¼ raa þ rbb ¼ 1 ð4:7Þ because of the normalization of the wave function É.
Various Forms of Electron and Energy Transfer Rate Constants In the previous section we have shown that the Marcus equation can be derived from Eq. 40). In this section, other forms of rate constants used in literatures will be derived. Notice that at T ¼ 0, Eq. f ð1 1 1 n X X 1 ðSeito" Þn 1 S 2 ÀS ¼ 2 jTfi j2 eÀS dðofi þ n" ¼ 2 jTfi j e dteitofi oÞ n! n! h " " h À1 n¼0 n¼0 2p Sn ð3:50Þ ¼ 2 jTfi j2 eÀS n! " h o " where n ¼ oif =" o. Applying the method of steepest descent (or saddle-point method) to Eq.