Peer instruction questions for DFT

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Peer instruction questions for DFT

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

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