| 6:45:29 PM PST - Tue, Jan 9th 2018 |
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The GAMESS Tamm-Dancoff approximation calculation gave two degenerate states of 0.238 eVs, which agree with the NWCHEM CIS (TDA) calculation results.
It is remarkabe that this calculation has a great difference between the TDDFT results with and without TDA.
In fact, it is told by GAMESS aug-cc-pvdz is an illegal minimal basis function requested for Sc in this calculation.
Today, the RPA TDDFT calculation also fails with NWCHEM6.8.
By the way, it seems that geometry 0.0 0.0 0.0 gets all 0.0eVs results using NWCHEM6.8 for this calculation, which is not the case for GAMESS.
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