[molpro-user] Using basis sets from turbomole library.
Grant.Hill at glasgow.ac.uk
Mon Jan 27 16:03:31 GMT 2014
On 27 Jan 2014, at 15:42, sasha medvedev <vinsanity305 at mail.ru> wrote:
> So, I add the missing contraction coefficient(=1.0000000000) by myself.
> Am I right?
As there is only one exponent, yes. But receiving an incomplete file would make me a bit wary. Perhaps it would be a good idea to check the basis in the original paper.
> Why are contraction coefficients omitted in turbomole basis set library?
Surely that is a question for the Turbomole developers.
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