| 12:36:49 PM PDT - Wed, Jun 26th 2013 |
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Hi,
I'm new user of NWChem software, and have a simple question about cartesian gaussian basis set.
For cartesian gaussian basis functions, the d-type function has 6 components(dxx, dyy, dzz, dxy, dxz, dyz), among which 5 indepedent basis functions can be formed with the 6th s-type functions.
So my question is how does NWChem handle this situation, discard the extra s-type function or keep it?
if keep it, will it introduce the linear dependency problem making the basis set overcompleteness?
Thanks,
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