You signed in with another tab or window. Reload to refresh your session.You signed out in another tab or window. Reload to refresh your session.You switched accounts on another tab or window. Reload to refresh your session.Dismiss alert
Hello,
your idea to create an educational version of a DFT solver is great and so is your
style of coding and the explanations in the code!
Did you follow any literature when programming the code or do you recommend any to follow what you did?
A hint or some formulas would be amazing (also in order to solve your assignement tasks).
Thank you!
The text was updated successfully, but these errors were encountered:
I'm sorry for having missed the original post. My mailbox is a battlefield at times...
This is in the first place based on my understanding of Kohn-Sham DFT and central problems, so I did not follow any book in particular. I've originally learned it from an M.Sc. syllabus, which was based on a few books, most notably the one of Parr and Yang. The P&Y book is definitely still great, despite its age.
I do also give a two-week contribution to a computational physics course, where I explain the basics of HF and DFT for electronic structure calculations. For that course, we use the Computational Physics by Thijssen, but over the years my slide deck was made more and more consistent and the notation and build-up is actually closer to that of Parr and Yang. (I had to put in remarks to draw the connection with Thijssen again, because I completely diverged from it.)
Hello,
your idea to create an educational version of a DFT solver is great and so is your
style of coding and the explanations in the code!
Did you follow any literature when programming the code or do you recommend any to follow what you did?
A hint or some formulas would be amazing (also in order to solve your assignement tasks).
Thank you!
The text was updated successfully, but these errors were encountered: