[molpro-user] The smallest exponent that can be used to specify a basis function

[Tatiana Korona]

Dear Evgeniy,

I used 1.e-10 to simulate IP or EA-EOM, see 
http://tiger.chem.uw.edu.pl/staff/tania/scripts/index.html, I remember that I 
had problems you mentioned with smaller exponents.

Best wishes,

Tatiana

On Tue, 7 May 2013, Evgeniy Gromov wrote:

> Dear Developers and Users of Molpro,
>
> I wonder what is the smallest exponent that can be used
> to specify a basis function. I am interested in putting
> just *one* basis function with the exponent let's say 1.E-15.
> But SCF does not converge in this case. I have a feeling that
> this might be a technical problem.
>
> Best regards,
> Evgeniy
>
> -- 
> _______________________________________
> Dr. Evgeniy Gromov
> Theoretische Chemie
> Physikalisch-Chemisches Institut
> Im Neuenheimer Feld 229
> D-69120 Heidelberg
> Germany
>
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> 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)