Time evolution of the second derivative time-correlation-function for the depolarized light scattering spectrum of CS2

1999 ◽  
Vol 110 (15) ◽  
pp. 7382-7391 ◽  
Author(s):  
H. Stassen ◽  
W. A. Steele
Keyword(s):  
Correlation Function ◽  
Light Scattering ◽  
Time Evolution ◽  
Time Correlation ◽  
Time Correlation Function ◽  
Second Derivative ◽  
Scattering Spectrum ◽  
Light Scattering Spectrum ◽  
Depolarized Light Scattering

Two-body dynamics in fluids as probed by interaction-induced light scattering

1981 ◽  
Vol 59 (10) ◽  
pp. 1504-1509 ◽  
Author(s):  
U. Balucani ◽  
R. Vallauri
Keyword(s):  
Correlation Function ◽  
Light Scattering ◽  
Time Correlation ◽  
Time Correlation Function ◽  
Simulation Experiments ◽  
Particle Pairs ◽  
Body Dynamics ◽  
Atomic Fluids ◽  
Relative Dynamics

The relative dynamics of particle pairs in fluids is investigated both theoretically and by simulation experiments. The physical implications of this analysis are important in all interaction-induced phenomena and illustrated in the case of the pair time correlation function relevant to collision-induced light scattering in atomic fluids.

scholarly journals Collision-Induced Light Scattering in Liquids and the Binary Collision Model

1973 ◽  
Vol 51 (19) ◽  
pp. 2025-2031 ◽  
Author(s):  
J. H. K. Ho ◽  
G. C. Tabisz
Keyword(s):  
Molecular Dynamics ◽  
Light Scattering ◽  
Theoretical Estimate ◽  
Binary Collision ◽  
Reliable Information ◽  
Molecular Liquids ◽  
Collision Model ◽  
Scattering Spectrum ◽  
Light Scattering Spectrum ◽  
Depolarized Light Scattering

The collision-induced Rayleigh wing in the depolarized light scattering spectrum of five molecular liquids has been studied in order to try to assess the validity of the isolated binary collision model. The intensity profiles have been analyzed in terms of the expressions derived by Bucaro and Litovitz, [Formula: see text], and by Shin, [Formula: see text]. It is concluded that before a positive distinction can be made between models or before reliable information on molecular dynamics may be extracted from the spectrum, a good theoretical estimate of the form of the induced polarizability Δα for close collisions is required.

Collision induced features of the depolarized light scattering spectrum of gaseous hydrogen at 50K.

1990 ◽  
Author(s):  
Ubaldo Bafile ◽  
Lorenzo Ulivi ◽  
Marco Zoppi ◽  
Fabrizo Barocchi ◽  
Massimo Moraldi ◽  
...  
Keyword(s):  
Light Scattering ◽  
Gaseous Hydrogen ◽  
Scattering Spectrum ◽  
Light Scattering Spectrum ◽  
Depolarized Light Scattering

Depolarized-light-scattering spectrum from gaseous hydrogen at 50 K: The density-squared component

1990 ◽  
Vol 42 (11) ◽  
pp. 6916-6919 ◽  
Author(s):  
Ubaldo Bafile ◽  
Lorenzo Ulivi ◽  
Marco Zoppi ◽  
Fabrizio Barocchi ◽  
Massimo Moraldi ◽  
...  
Keyword(s):  
Light Scattering ◽  
Gaseous Hydrogen ◽  
Scattering Spectrum ◽  
Light Scattering Spectrum ◽  
Depolarized Light Scattering

Rate Constants, Reactive Flux

2018 ◽  
Author(s):  
Niels Engholm Henriksen ◽  
Flemming Yssing Hansen
Keyword(s):  
Correlation Function ◽  
Rate Constant ◽  
Cross Sections ◽  
Time Correlation ◽  
Time Correlation Function ◽  
Exact Expression ◽  
Reaction Cross ◽  
Dividing Surface ◽  
Definition Of ◽  
Reactive Flux

This chapter discusses a direct approach to the calculation of the rate constant k(T) that bypasses the detailed state-to-state reaction cross-sections. The method is based on the calculation of the reactive flux across a dividing surface on the potential energy surface. Versions based on classical as well as quantum mechanics are described. The classical version and its relation to Wigner’s variational theorem and recrossings of the dividing surface is discussed. Neglecting recrossings, an approximate result based on the calculation of the classical one-way flux from reactants to products is considered. Recrossings can subsequently be included via a transmission coefficient. An alternative exact expression is formulated based on a canonical average of the flux time-correlation function. It concludes with the quantum mechanical definition of the flux operator and the derivation of a relation between the rate constant and a flux correlation function.

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