Examples

This section contains example Jupyter notebooks demonstrating the usage of the project. All example notebooks shown below can be found in the Examples directory of the repository.

Contents:

• \(\text{Preparing } \textit{ab-initio} \text{ data}\)
  • Displacements using CFOUR
  • Preparing ADCC Input Files
• \(\text{C}_2\text{H}_2\text{F}_2 \text{ Model}\)
• \(\text{FCCH Model}\)
• \(\text{H}_2\text{CO} \text{ Model}\)
• \(\text{Li}_3 \text{ Model}\)
• \(\text{Model 2 molecules}\)
  • \(\Sigma^+\) transition
  • \(\Pi^*\) transition
  • \(\text {FCHO Single molecule}\)