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- Wed May 06, 2015 6:51 pm
- Forum: Response calculations
- Topic: Question to the TDDFT Tutorial
- Replies: 0
- Views: 2042
Question to the TDDFT Tutorial
Hello Abinit Community, i'm very new to chemistry and dft (tddft), but i hope someone could answer the question nethertheless. I need to calculate excited states of a Photoinitiator for my Master Thesis. The question is how one can derive the corresponding quantum numbers in the 2. part of the TDDFT...