We have located links that may give you full text access.
Efficient Criterion To Evaluate Linear Response Theory in Optical Transitions.
Journal of Chemical Theory and Computation 2017 May 10
The role of the Gaussian statistics on the solvation dynamics upon the photon excitation of the chromophore is deeply explored. The linear response theory for the fluorescence Stokes shift is investigated. An analytical formulism is presented to recast Stokes shift into the contributions of the equilibrium time correlation functions of the solute-solvent interactions on the excited-state surface, and the latter is further reformed and depicted by the time relaxation of the moment. As the first application of the formulism in the molecular dynamics simulations, it is verified that the efficiency of the linear response theory relies on the Gaussian characteristics of the dominant moments in terms of the Stokes shift, which is identified by the same relaxation dynamics between those moments and the linear order one. The comparisons between the above observations on the linearity of Stokes shift and the explanations in the literature are discussed. The key finding is the development of explicit criterion to measure the appropriateness of applying linear response theory.
Full text links
Related Resources
Get seemless 1-tap access through your institution/university
For the best experience, use the Read mobile app
All material on this website is protected by copyright, Copyright © 1994-2024 by WebMD LLC.
This website also contains material copyrighted by 3rd parties.
By using this service, you agree to our terms of use and privacy policy.
Your Privacy Choices
You can now claim free CME credits for this literature searchClaim now
Get seemless 1-tap access through your institution/university
For the best experience, use the Read mobile app