User:Ldm1954/Sandbox/TrX

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.