ruoyuwang1995nya/python_1d_dft

1D density functional theory code in Python

DFT (Density Functional Theory) tutorial code in Python

• Jupyter Notebook (Japanese)

• Run in browser (Japanese)

• Goal: write our own Kohn-Sham (KS) DFT code

  • Target: a harmonic oscillator including kinetic energy, electrostatic repulsion between the electrons, and the local density approximation for electronic interactions, ignoring correlation.

Refs.

• http://dcwww.camd.dtu.dk/~askhl/files/python-dft-exercises.pdf