Thank you for all these pointers, this is really cool. In particular, I had never heard of DFT ... really intesting and first time I am exposed to what feels l

Thank you for all these pointers, this is really cool. In particular, I had never heard of DFT ... really intesting and first time I am exposed to what feels like real "hands-on" QM (as opposed to the very stripped down systems one learns about in introductory QM textbooks).