hi,
Below is the portion of the sarc-zora basis set for uranium.
The 9 primitive functions are contracted to get the 1s functions.
But for the 2s,3s,4s,5s functions, isn't the exponent coefficient too large compared to the true s orbitals?
I think I must make a mistake to interpret those basis functions.
Can anyone help?
- BASIS SET: (29s,20p,16d,12f) -> [21s,13p,10d,7f]
U S
58915269.20406200 0.0191882768
26779667.82002800 -0.0053454445
12172576.28183100 0.0340255790
5532989.219014000 0.0173125062
2514995.099552000 0.0638914339
1143179.590705000 0.0804714997
519627.0866840000 0.1656720091
236194.1303110000 0.2739080595
107360.9683230000 0.5185531527
U S
48800.4401470000 1.0000000
U S
22182.0182490000 1.0000000
U S
10082.7355680000 1.0000000
U S
4583.0616220000 1.0000000
...........
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