Inconsistant basis set for cc-pVTZ and cc-pVTZ-DK for Li, Na, Be, Mg
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wudihua commented
In cc-pVTZ, For lithium, here are the D-type and F-type functions
* D-type functions
2 2
1.900000E-01
7.250000E-02
1.000000E+00 0.000000E+00
0.000000E+00 1.000000E+00
* F-type functions
1 1
1.270000E-01
1.0000000
In cc-pVTZ-DK, the corresponding part is,
* D-type functions
2 2
0.1874000
0.0801000
1.0000000 0.0000000
0.0000000 1.0000000
* F-type functions
1 1
0.1829000
1.0000000
They should be the same, since -DK should has the same exponent as the original one. They differ only on the coefficient.
Similar things happened in the aug-cc-pVxZ-DK basis set.
This is probably because the -DK basis set did not update the exponent in paper B. Prascher, D.E. Woon, K.A. Peterson, T.H. Dunning, Jr., and A.K. Wilson, Theor. Chem. Acc. 128, 69 (2011)