peer instruction questions for dft
Post on 05-Dec-2014
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What are advantages of DFT over HF?
What are advantages of DFT over MP2?
What are advantages of MP2 over DFT?
What is a LDA func<onal and give an example?
What is a GGA func<onal and give an example?
What is a hybrid func<onal and name an example?
What is a meta-‐GGA func<onal and name an example?
Source: hGp://vergil.chemistry.gatech.edu/notes/dJ-‐parrish-‐2010.pdf
Why don’t I get the exact energy from DFT?
Is DFT varia<onal?
Why can’t we compare DFT energies from different programs?
Source: hGp://vergil.chemistry.gatech.edu/notes/dJ-‐parrish-‐2010.pdf
How do I find the best func<onal for my project?
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