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Peer instruction questions for DFT
1.
What are advantages
of DFT over HF?
2.
What are advantages
of DFT over MP2?
3.
What are advantages
of MP2 over DFT?
4.
What is a
LDA func<onal and give an example?
5.
What is a
GGA func<onal and give an example?
6.
What is a
hybrid func<onal and name an example?
7.
What is a
meta-‐GGA func<onal and name an example?
8.
Source: hGp://vergil.chemistry.gatech.edu/notes/dJ-‐parrish-‐2010.pdf
9.
Why don’t I
get the exact energy from DFT?
10.
Is DFT varia<onal?
11.
Why can’t we
compare DFT energies from different programs?
12.
Source: hGp://vergil.chemistry.gatech.edu/notes/dJ-‐parrish-‐2010.pdf
13.
How do I
find the best func<onal for my project?
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