Supplementary material for "A detailed comparison of ΔSCF methods with the constraint-based orbital-optimized excited states method"
Abstract
Here we provide all relevant source data to reproduce our Figures in the main manuscript and in the Supplementary Information. We recommend compilation on a UNIX-like system. To compile Gnuplot sources execute gnuplot .gnuplot To plot difference densities and molecular orbitals from Cube files execute pymol -cq .pml
Publication details
- Journal / source
- Zenodo (CERN European Organization for Nuclear Research)
- Publication date
- 22 April 2026