Data and Scripts for "Real-Time Time-Dependent Density Functional Theory Implementation of Electronic Circular Dichroism Applied to Nanoscale Metal-Organic Clusters"

<p>The xyz files were used for the ECD calculation in the paper :https://arxiv.org/abs/2007.08560<br> gsrun.py: ground-state calculation<br> td_calc.py: time -propagation for ECD<br> cdspecX.py: get rotatory strength for plotting</p>