Re: CCL:polarizability

[Marcel Swart <m.swart \\at// chem.rug.nl>]

>Hi all
 >Can anyone point me out " what's the unit of polarizability that is
 >obtained from frequency calculation?"? I try to find from the manual
 but I
 >didn't see they have explained about the unit. It tell you about the
 >polarizability tensors. I don't know how to relate to the typical unit of
 >polarizability such as 10^-24 cm^3.
 >Thanks
 >sompop
 Dear sompop,
 I don't know which program you use (Gaussian/ADF/HONDO/MOPAC), but there
 are a few common units with regards to polarizability:
 those regarding polarizability volumes (Atkins - Molecular Quantum Mechanics)
 - atomic units (i.e. Bohr^3)
 - Angstroms^3
 -10^-24 cm^3
 The second and last are equal, the first (most common !!!) is 6.748333
 times ([ 1/0.52917725^3 ]) the other value.
 For more information I refer you again to Atkins - MQM.
 Best wishes,
 Marcel
  ==============================================================
  Marcel Swart
  University of Groningen
  Chemistry Department
  E-mail : m.swart \\at// chem.rug.nl
  ==============================================================