[CP2K-user] [CP2K:21004] Is there any diffence between GTH basis set and other basis set in definition?

[yj jiang]

Dear everyone, I want to using GTH basis set in my program. I found that 
this kind of basis set are *not* normalized. Other basis, like STO-3G (all 
basis can be found in basissetexchange <https://www.basissetexchange.org/>), 
are all normalized in definition. 

I want to know is there anything wrong in my expression of basis function. 
Here is experssion I used:

s type orbital as example:
alpha1    coeff1
alpha2    coeff2
alpha3    coeff3

basis function:
f = coeff1 * norm1 * exp(-alpha1 * r^2) 
+ coeff2 * norm2 * exp(-alpha2 * r^2)
+ coeff3 * norm3 * exp(-alpha3 * r^2)
where norm_i is normalization constant of primitive GTO exp(-alpha_i * r^2) 

Thx. a lot!

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