Subject: FW: Onsager equation

From: "Mark Thompson" <[email-masked]>
Date: Fri, 20 Sep 2002 10:51:38 -0700

Andy,

Here is a good journal article that gives one approach to what you are
looking for:

 Karelson and Zerner, J. Phys. Chem. vol 96, 6949-6957, (1992)

Mark

=================================
 Mark Thompson, Ph.D.
 Planaria Software
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>
> > -----Original Message-----
> > From: Computational Chemistry List [mailto:[email-masked]]On
> > Behalf Of Ng Man Fai
> > Sent: Wednesday, September 18, 2002 2:44 AM
> > To: [email-masked]
> > Subject: CCL:Onsager equation
> >
> >
> > Hi, may I ask that how to implement the Onsager equation for calculating
> > the solvent effect in the excited state calculations? I have changed the
> > ground state fock matrix by adding the dielectric term, but where to put
> > the index of refraction term?
> >
> > Best regards,
> > Andy
> >
>
>