[molpro-user] Where are left and right transition dipole moments calculated with eom-ccsd stored?

[Evgeniy Gromov]

Dear Tatiana,

Thank you very much for your response. Just one more question
(on the same subject), I guess that transition DM are calculated
by default in length gauge. Is it possible to obtain them in velocity
gauge? Many thanks!

Best regards,
Evgeniy

Tatiana Korona wrote:
> Dear Evgeniy,
> 
> The left components are also in TR*, just after the right components. You can 
> take h2o_eomprop.test job, add "show,TR*" and you will see easily where they 
> are.
> 
> Bes wishes,
> 
> Tatiana
> 
> 
> On Thu, 19 May 2011, Evgeniy Gromov wrote:
> 
>> Dear Molpro Community,
>>
>> I am wondering what variables are reserved for the
>> left and right components of the transition dipole
>> moment calculated in the EOM-CCSD procedure. Actually
>> I learned that the right TDM components are stored in
>> TDMX, TDMY and TDMZ but what about the left components.
>> Many thanks!
>>
>> Best regards,
>> Evgeniy
>>
>> -- 
>> _______________________________________
>> Dr. Evgeniy Gromov
>> Theoretische Chemie
>> Physikalisch-Chemisches Institut
>> Im Neuenheimer Feld 229
>> D-69120 Heidelberg
>> Germany
>>
>> Telefon: +49/(0)6221/545263
>> Fax: +49/(0)6221/545221
>> E-mail: evgeniy at pci.uni-heidelberg.de
>> _______________________________________
>>
>>
>>
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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)
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-- 
_______________________________________
Dr. Evgeniy Gromov
Theoretische Chemie
Physikalisch-Chemisches Institut
Im Neuenheimer Feld 229
D-69120 Heidelberg
Germany

Telefon: +49/(0)6221/545263
Fax: +49/(0)6221/545221
E-mail: evgeniy at pci.uni-heidelberg.de
_______________________________________