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| 1:38:13 AM PDT - Wed, Jul 24th 2013 |
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Deers Edo
I have already done a calculation of the ground state of a neon atom and I have the same problem.
Moreover, I compute using a cartesian basis set for HF method in MOLPRO and NWCHEM. For the HF method, the value of energies are exactly the same (in the case of carbon and neon atom).
I am going to take a look at the spherical symmetry in MOLPRO.
Thanks,
Guillaume
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