DFTQuantumDot VS HartreeFock

In this one I used VTK to plot 3D data: https://github.com/aromanro/DFTQuantumDot

A density functional theory project that could be extended to use non-local pseudopotentials to compute a molecule: https://github.com/aromanro/DFTQuantumDot (there is an example in there on how to compute a molecule but without pseudo potentials, so it works only on simple ones like H2 or so, for an example with a pseudo-potential - but a simple local one - check out the python repository).

For this one I used my own code that draws the chart: https://github.com/aromanro/HartreeFock

Try to obtain this https://github.com/aromanro/HartreeFock from GPT3 and see what you really get out of it.

I have some projects on that topic here: https://github.com/aromanro?tab=repositories since it's one of my hobbies. If I would have to point out one of them for the usage of maths, I could point out this one: https://github.com/aromanro/HartreeFock but there are plenty of other projects there that requires quite a bit of mathematics to understand and implement.

Here is my implementation of that algorithm (together with some other stuff, like perturbation theory, coupled-cluster, configuration-interaction and so on): https://github.com/aromanro/HartreeFock

From the open source ones, probably this one: https://github.com/aromanro/HartreeFock It started 'small' then I extended it based on tutorials from here: https://github.com/CrawfordGroup/ProgrammingProjects (and not only).

Cel mai complex proiect personal e asta: https://github.com/aromanro/HartreeFock