[molpro-user] Quadrupolar polarizabilities

[Tatiana Korona]

Hi,
So you want to do finite-field calculations. Some examples of FF are given 
in main_molpro_directory/examples. See also
http://www.molpro.net/info/current/molpro_manual?root=/info/current//doc/manual&panel=index&indexnode=/info/current//doc/manual/node666.html

Tatiana

On Wed, 19 Dec 2007, Wright Timothy wrote:

> 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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> you are advised to perform your own checks. Email communications with the
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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)