Implementation of the Fragment-Excitation-Difference (FED), Fragment-Charge-Difference (FCD) and the Multi-FED-FCD Scheme using the Open-Source Quantum-Chemistry Framework PySCF
The FED-Scheme is built using the Hsu J. Phys. Chem. 2008 paper.
The FCD-Scheme is built using the Voityuk J. Phys. Chem 2002 paper.
The Multi-FED-FCD-Scheme is built using the Mennucci Photosynth. Res. 2018 paper.