[molpro-user] basis sets for tddft calculation

ancborin at iq.usp.br ancborin at iq.usp.br
Wed Jul 31 13:15:29 BST 2013

Dear users,

I want to computed tddft energies excitations for a system with a  
transition atom.

I´m using cc-pVTZ basis sets for main elements and vtz-PP for the  
transition atom.

How do I set the auxiliary basis sets for the tddft calculations?

Thank you very much,

Antonio Carlos Borin
Universidade de São Paulo
Instituto de Química.

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