CCL:G: Raman intensity Vs Static polarizability

[favaro <laurent.favaro++u-psud.fr>]

 Sent to CCL by: favaro [laurent.favaro _ u-psud.fr]
 For sure.
 Units are expressive : (Angstroms)exp(4)/ Atomic Mass Unit
 should not be compared with experimental intensity units.
 Despite, trends, for similar compounds, are very interesting.
 Even experiments are very difficult to compare.
 Absolute intensity measures are challenging.
 Best regards
 L.F.
 zborowsk]|[chemia.uj.edu.pl a écrit :
>  Sent to CCL by: zborowsk**chemia.uj.edu.pl
> >  Sent to CCL by: favaro [laurent.favaro[#]u-psud.fr]
> >  Do you mean that G03 does not calculate Raman Cross-section ?
> >  I believe you are wrong.
> >  
>  Gaussian calculates Raman Activities, not Raman Intensities, and obviously
>  it is not the same. Raman Activities cannot be compared directly with
>  experimental Raman spectra.
>  Regards
>  Kzys
> >  Regards.
> >  LF
> >  zborowsk]*[chemia.uj.edu.pl a écrit :
> > >  Sent to CCL by: zborowsk|,|chemia.uj.edu.pl
> > >  Hi
> > >  Dear Mi Yang
> > >  I want to warn you if you are Gaussian user.
> > >  Gaussian does not calculate  Raman Intensities
> > >  Sent to CCL by: favaro [laurent.favaro|*|u-psud.fr]
> > >   Raman intensity is related to the square
> > >   of the derivative of polarizability with respect
> > >   to the normal coordinates of the vibrationnal mode.
> > >   Best regards,
> > >   Dr Favaro
> > >   Mi Yang miyang3790_+_gmail.com a écrit :
> > >   Sent to CCL by: "Mi  Yang" [miyang3790*gmail.com]
> > >   Dear CCL users,
> > >   I need some comments or refs about my problem. I am studying the
> > >  interaction of a metal with a boron cluster. I found the large increase
> > >  of static polarizability and hyperpolarizability upon interaction of
> > >  metal atom to that boron cluster. I also calculated the Raman spectrum
> > >  which also showed high increase of intensity in metal boron cluster. I
> > >  read some indirect relationship b/m these two properties but now in
> > >  spite
> > >  of my best efforts I could not find the direct relationship between
> > >  Static polarizability and Raman intensity. Anybody who knows any ref or
> > >  comments about this relationship (Static
> > >  polarizability/hyperpolarizability and Raman intensity) would be highly
> > >  appreciated.?
> > >   Miyang
> > >   P.R.China>
> > >  
> >