# Examples¶

Here we outline the examples available.

## Examples from our CPC paper¶

The original examples from our Computer Physics Communications paper 1 are kept in our GitHub repository. These are scripts that compute XAS and RIXS for particular physical models including:

A two-site Ir-Ir cluster model. See Ref. 1 section 5.2. This allows the modeling of dimer excitations in RIXS where electrons transition between atoms. We used this model in our manuscript on Ba5AlIr2O11. 2

Anderson impurity model. See Ref. 1 section 5.3. This addresses Ba2YOsO6.

## Extended examples¶

Additional examples are available here. Thus far we have addressed.

Single atom and Anderson impurity models for Ba2YOsO6.

Two-site cluster for Ba3InIr2O9.

Single atom model for La2NiO4 taken from Ref. 3 extended to show how spin direction can influence XAS and RIXS spectra.

Single atom model for LaNiO3 heterostructures taken from Ref. 4.

Heavy fermion example for plutonium O-edge

Single atom model for pyrochlore iridates taking into account differently oriented octahedra.

Single atom model for O-edge RIXS on URu2Si2 from including both 5f and 5d orbitals from Ref. 5.

Single atom model for L-edge RIXS on URu2Si2 from Ref. 6.

Footnotes

- 1(1,2,3,4)
Y. Wang et al., Comput. Phys. Commun 243, 151-165 (2019)

- 2
Y. Wang et al., Phys. Rev. Lett. 122, 106401 (2019).

- 3
G. Fabbris et al., Phys. Rev. Lett. 118, 156402 (2017)

- 4
G. Fabbris et al., Phys. Rev. Lett. 117, 147401 (2016)

- 5
L. Andrew Wray et al., Phys. Rev. Lett. 114, 236401 (2015)

- 6
Y. Wang et al., Phys. Rev. B 96, 085146 (2017)