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Why is Quanty not developed for 4f and 5f atoms?
asked by jiang min zhang (2024/08/01 12:59)
Is there any difficulty to extend Quanty to cover these elements? I do not see any fundamental difference between 4f electrons and 3d electrons.
Answers
Dear Jiang Min Zhang,
Quanty can also do calculations for materials containing 4f or 5f open shell elements. If you look at the examples of our last workshop |https://www.quanty.org/workshop/heidelberg/october_2022/programme you will find examples for open 4 shell elements and 3d to 4f transitions.
Best wishes, Maurits