https://www.bragitoff.com/2023/03/how-to-calculate-and-plot-molecular-orbitals-from-a-dft-hf-calculation-using-pyscf%e2%9d%93%f0%9f%a4%94-tutorial%f0%9f%91%a8%f0%9f%92%bb/
How to calculate and plot molecular orbitals from a DFT/HF calculation using PySCF❓🤔 | TUTORIAL👨‍💻