# CCL: Polarization Basis Functions

*From*: "Gustavo L.C. Moura"
<gustavo.moura]^[ufpe.br>
*Subject*: CCL: Polarization Basis Functions
*Date*: Fri, 31 Aug 2012 14:47:31 -0400

Sent to CCL by: "Gustavo L.C. Moura" [gustavo.moura~!~ufpe.br]
Dear CCL Readers,
How are the exponents of the polarization functions determined in a basis set?
Taking carbon as an example, I know that we may determine the exponents of the
s and p basis functions through the minimization of the electronic energy of an
atomic calculation. But, how to determine the exponents of the d, or even f,
basis functions if they do not contribute to the energy of the isolated atom?
I apologize if this question sounds too basic, but I failed to find an answer
to this question in the internet or in my books.
Thank you very much in advance for helping me with this question.
Sincerely yours,
Gustavo L.C. Moura