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by bnikoobakht
14 Oct 2015, 09:48
Forum: Running Dalton
Topic: two-photon transition strength/(S_{0f}
Replies: 0
Views: 5838

two-photon transition strength/(S_{0f}

Dear all, I have question regarding to the evaluation of two-photon transition strength using CCSD method in Dalton package. As you can see in the attachment, I calculated the two-photon transition matrix elements (S_{0f}) for the fenchon molecule. As you can see the signs of all S_{0f} are positive...