[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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