Matter Modeling
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Roberto's user avatar
Roberto's user avatar
Roberto
  • Member for 3 years, 2 months
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question
7
How is the tight binding model derived from the Kohn-Sham DFT energy?
Dec 16, 2022
answer
7
How is the tight binding model derived from the Kohn-Sham DFT energy?
Dec 21, 2022
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9
Is it rigorous enough to change a DFT functional after geometry optimization to calculate excited state properties?
8
Three stacked arrows, what does it signify?
6
What are the constraints on the two electron integral matrix?
6
Why is tert-butoxide often used in elimination reactions when it is not necessary?
5
How should I disclose a data extraction error when submitting a revision?

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