Subject: Re: CCL:polarizability

From: Marcel Swart <[email-masked]>
Date: Sat, 22 Jan 2000 20:25:00 +0200

>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 : [email-masked]
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