Examples
Some example Jupyter notebooks of a spin-bath model derivation for the well-known Single Impurity Anderson Model (SIAM) and the Fermi-Hubbard Model are provided. The notebooks also include a spin optimization procedure for two molecules and the subsequent derivation of molecule specific spin models. The notebooks can be obtained by running the following command:
hqstage download-examples -m hqs-spin-mapper
The example notebooks contain the following examples
| Example | Filename |
|---|---|
| Real valued SIAM | siam_example.ipynb |
| Complex valued SIAM | complex_siam_example.ipynb |
| Real valued Fermi-Hubbard model | hubbard_example.ipynb |
| Kondo lattice chain model | kondo_lattice_example.ipynb |
| 1,3,5-Trimethylenebenzene | tmb_example/tmb_example.ipynb |
| Closed configuration Para-benzyne | pbz_spinfinder_example/pbz_spinfinder_example.ipynb |
There are furthermore a few simple example Python scripts avalaible in the examples directory of
the repository.
| Example | Filename |
|---|---|
| Real valued SIAM | siam_example.py |
| Complex valued SIAM | complex_siam_example.py |
| Real valued Fermi-Hubbard model | hubbard_example.py |
| Kondo lattice chain model | kondo_lattice_example.py |