tamuhey/python_1d_dft

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MIT License
Created about 6 years ago
Updated over 1 year ago

tamuhey/python_1d_dft

tamuhey

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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

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