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>