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Volumn 108, Issue 15, 1998, Pages 6362-6377

Dispersion solute-solvent coupling in electron transfer reactions. I. Effective potential

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EID: 0000677384     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.476043     Document Type: Article
Times cited : (21)

References (99)
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    • 0〉 the nonequilibrium solvation stationary states. In their case, however, E′ is a function of the solvent polarization that is a collective variable involving constrained averaging over the nuclear coordinates [see the discussion preceding Eq. (57)]. Our term is used to stress two basic features: (i) no β→∞ limit is taken in Eq. (2) and (ii) no averaging over the nuclear degrees of freedom has been performed.
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    • 1P excited state of He [M. Rerat and C. Pouchan, Phys. Rev. A 49, 829 (1994)]. Diatomic ions in excited electronic states may have negative polarizabilities [P. E. Maslen, J. M. Papanikolas, J. Faeder, R. Parson, and S. V. ONeil, J. Chem. Phys. 101, 5731 (1994)].
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    • note
    • An obvious problem with the Kim and Hynes formulation (Ref. 16d) is the unphysical asymmetry of Eqs. (61) and (62) with respect to the sign switch v→-v. In fact, Eq. (62) can be solved for v < 0 and often does not have a solution for v>0. This defect does not appear in Eq. (60) and in the variational procedures (Refs. 7b, 22b).
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    • note
    • 0 in Eq. (63).
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    • note
    • 12〉 and the latter parameter in fact enters equations for radiative rates and absorption intensities.


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