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#1 2017-02-21 20:40:04

Addiw7
Member
Registered: 2016-05-24
Posts: 8

Nonlinear properties calculations

Dear All,

Is it possible to calculate the nonlinear properties, e.g. two-photon absorption transitions strengths or hyperpolarizabilities with Molcas?
If yes, with what methods? Is CASPT2 available for that?

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