User:Ldm1954/Sandbox/TrX

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History

  • First paragraph: please add a reference to VBT
  • Second paragraph, please ensure that everything has a reference, for instance the LCAO paper by Roothaan needs one
  • Third paragraph. You need an overview review or specific sources, it is not appropriate to just have the Allinger paper.

Applications

  • Looks fine. Others may add to it -- let them

Methods

  • All three paragraphs are misplaced, these are for optimizing positions, and specifics of ab-initio methods. They should be deleted
  • The 'Methods for solids section is not appropriate, as DFT is also often for solids. I suggest deleting. (Move the Main to see also)
  • In Chemical Dynamics need to mention that this is for ab-initio calculations
  • Split operator technique should be a subheading of Chemical Dynamic

Accuracy

  • I noticed that the first sentence uses "our" and "us". Remember that we cannot use words like this in Wikipedia.