python_1d_dft icon indicating copy to clipboard operation
python_1d_dft copied to clipboard

verified publisher icon tamuhey
→

Metadata

1D density functional theory code in Python

DFT (Density Functional Theory) tutorial code in Python

  • Jupyter Notebook (Japanese)

  • Run in browser (Japanese)

  • Simplified Chinese

  • 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

← Metadata

104
Stars
55
Forks
Watchers

Owner

verified publisher icon tamuhey

Metadata

1D density functional theory code in Python

Back