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Questions related from Indranil Bhattacharjee
I am willing to optimize dimer in both, singlet and triplet, excited state. But I don't know whether it is possible from gaussian, and if yes, how to do. Thanks in advance.
07 March 2017 8,020 3 View
I have done DFT and TD-DFT to obtain singlet excited state, now I want to calculate triplet state also and to check singlet to triplet transition. I have used B3LYP/6-311g(d,p) for singlet state.
30 August 2016 2,092 4 View