GitHub - Enkiduuu/HF-LDA-for-ammonia-STO-3G-

Name		Name	Last commit message	Last commit date
Latest commit History 7 Commits
.idea		.idea
1900011735-Yang Shen-DFT Final Summary.pdf		1900011735-Yang Shen-DFT Final Summary.pdf
H2 density.py		H2 density.py
H2.py		H2.py
HF for NH3 202112110955.py		HF for NH3 202112110955.py
Hartree-Fock.py		Hartree-Fock.py
LDA for NH3.py		LDA for NH3.py
Result of LDA Calculation for ammonia.txt		Result of LDA Calculation for ammonia.txt
ShenY-Final report.pdf		ShenY-Final report.pdf
Xalpha for H2.py		Xalpha for H2.py
generate band structure.ipynb		generate band structure.ipynb