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Brief overview of electronic structure calculations

Vikram Gavini's picture

I am attaching a brief overview of electronic structure theories (ab-initio theories) with emphasis on the various approximations that form a basis for these theories. It also contains references that provide a comprehensive introduction to the field.

PDF icon Overview.pdf92.26 KB


Amirtham Rajagopal's picture

dear sir
could you suggest some references on fundamentals of gamma convergence for functionals with higher gradients.
thanks and regards

Vikram Gavini's picture


I like the book by Dal Maso on Gamma convergence. It is comprehensive and presented in a very generic way. I think you can use the techniques developed there to address higher gradients too. You would essentially use Sobolev embeddings of higher dimension to get desired results. There is nothing in the general theory, to the best of my knowledge (please correct me if I am wrong), which restricts to gradients of first order. If you have a more specific question, I may be able to provide you with a more concrete answer. I hope this helps.

I wish to add that this may not be the write forum to discuss this question. So may be we should have this discussion through a different thread or a personal exchange.


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