Author Topic: An old question concerning non standard cbas  (Read 141 times)

evgeniy

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An old question concerning non standard cbas
« on: August 20, 2018, 02:03:21 pm »
Hello,

I have a non-standard main basis and a related to it auxilary basis (cbas), which hopefuly should give a sufficient/appropriate  accuracy.
Now I want to aurgument the main basis by 3 diffuse functions in each shell, i.e. I want to add 3s-, 3p-,  3d-, and 3f- diffuse functions to the main basis,
with the exponent obtained in even-tempered way. The question is how to augment the auxilary basis to be consistent with the augmented main basis?
Would it be OK/appropriate for that to add to the auxilary basis the same number of diffuse functions as added to the main basis, with exponents also obtained
in even-tempered way? Thanks in advance!

Best regards,
Evgeniy