About SARC-ZORA basis set


Click here for full thread
Clicked A Few Times
10:20:03 AM PDT - Tue, Aug 20th 2013
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?




  1. 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
...........