[molpro-user] Quadrupolar polarizabilities

[Wright Timothy]

Thanks.
However, what I want to do is to calculate the RCCSD(T) energy at
various quadrupolar fields, and then fit the subsequent energies to an
expansion (I have done this many time for dipolar fields).

I should have been clearer.

Tim

-----Original Message-----
From: Tatiana Korona [mailto:tania at tiger.chem.uw.edu.pl] 
Sent: 19 December 2007 14:04
To: Wright Timothy
Cc: molpro-user at molpro.net
Subject: Re: [molpro-user] Quadrupolar polarizabilities

hf
polar,qm

Tatiana Korona

On Wed, 19 Dec 2007, Wright Timothy wrote:

>
> Over and above the outline in the manual, has anyone perhapsot a
working
> script I could look at for calculating static quadrupolar
> polarizabilities for an atom?
>
> Thanks,
> Tim Wright (Nottingham,UK)
>
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Dr. Tatiana Korona http://tiger.chem.uw.edu.pl/staff/tania/index.html
Quantum Chemistry Laboratory
University of Warsaw
Pasteura 1, PL-02-093 Warsaw, POLAND


`The man who makes no mistakes does not usually make anything.'
                                        Edward John Phelps (1822-1900)

This message has been checked for viruses but the contents of an attachment
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University of Nottingham may be monitored as permitted by UK legislation.