scholarly journals On the validity of linear response approximations regarding the solvation dynamics of polyatomic solutes

2017 ◽  
Vol 19 (17) ◽  
pp. 10940-10950 ◽  
Author(s):  
Esther Heid ◽  
Wanda Moser ◽  
Christian Schröder
Keyword(s):  
Linear Response ◽  
Solvation Dynamics ◽  
Gaussian Statistics ◽  
Nonequilibrium Solvation

Gaussian statistics and linear response predictions of the nonequilibrium solvation dynamics are tested for numerous solute/solvent combinations.

scholarly journals To unravel the connection between the non-equilibrium and equilibrium solvation dynamics of tryptophan: success and failure of the linear response theory of fluorescence Stokes shift

RSC Advances ◽  
2020 ◽  
Vol 10 (31) ◽  
pp. 18348-18354
Author(s):  
Xiaofang Wang ◽  
Jirui Guo ◽  
Tanping Li ◽  
Zhiyi Wei
Keyword(s):  
Excited State ◽  
Linear Response ◽  
Stokes Shift ◽  
Linear Response Theory ◽  
Solvation Dynamics ◽  
Response Theory ◽  
Gaussian Statistics ◽  
Non Equilibrium

Success and failure of linear response theory for Stokes shift correlate with the excited state Gaussian statistics.

scholarly journals Solvation dynamics in polar solvents and imidazolium ionic liquids: failure of linear response approximations

2018 ◽  
Vol 20 (7) ◽  
pp. 5246-5255 ◽  
Author(s):  
Esther Heid ◽  
Christian Schröder
Keyword(s):  
Ionic Liquids ◽  
Linear Response ◽  
Large Scale ◽  
Linear Response Theory ◽  
Time Dependent ◽  
Solvation Dynamics ◽  
Polar Solvents ◽  
Imidazolium Ionic Liquids ◽  
Fluorescence Measurements ◽  
Solvent Systems

Large scale computer simulations of different fluorophore-solvent systems reveal when and why linear response theory applies to time-dependent fluorescence measurements.

Hidden Breakdown of Linear Response:  Projections of Molecular Motions in Nonequilibrium Simulations of Solvation Dynamics

2003 ◽  
Vol 107 (24) ◽  
pp. 4773-4777 ◽  
Author(s):  
Michael J. Bedard-Hearn ◽  
Ross E. Larsen ◽  
Benjamin J. Schwartz
Keyword(s):  
Linear Response ◽  
Solvation Dynamics ◽  
Molecular Motions

Signatures of Nonequilibrium Solvation Dynamics on Multidimensional Spectra

2009 ◽  
Vol 42 (9) ◽  
pp. 1299-1309 ◽  
Author(s):  
Porscha L. McRobbie ◽  
Gabriel Hanna ◽  
Qiang Shi ◽  
Eitan Geva
Keyword(s):  
Solvation Dynamics ◽  
Nonequilibrium Solvation

NONLINEAR LASER SPECTROSCOPY OF NONLINEAR SOLVATION

1996 ◽  
Vol 05 (04) ◽  
pp. 789-807 ◽  
Author(s):  
B.D. FAINBERG ◽  
B. ZOLOTOV ◽  
D. HUPPERT
Keyword(s):  
Time Evolution ◽  
Laser Spectroscopy ◽  
Electronic Transition ◽  
Linear Response ◽  
Nonlinear Optical ◽  
Optical Spectra ◽  
Solvation Dynamics ◽  
Time Resolved Fluorescence ◽  
Time Resolved ◽  
Nonlinear Laser Spectroscopy

In this study we show that the transient four-photon spectroscopy with pulses longer than the electronic transition dephasing can be used for nonlinear solvation study, i.e., when the linear response for the solvation dynamics breaks down. We have obtained new formulae describing the time evolution of the moments of the nonlinear optical spectra and, in particular, the time resolved fluorescence in the case of nonlinear solvation.

The breakdown of linear response theory in non-polar solvation dynamics

2005 ◽  
Vol 407 (1-3) ◽  
pp. 171-175 ◽  
Author(s):  
Edson Bernardi ◽  
Márcio Marques Martins ◽  
Hubert Stassen
Keyword(s):  
Linear Response ◽  
Linear Response Theory ◽  
Solvation Dynamics ◽  
Response Theory ◽  
Polar Solvation
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