Data and Scripts for "Real-Time Time-Dependent Density Functional Theory Implementation of Electronic Circular Dichroism Applied to Nanoscale Metal-Organic Clusters"
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The xyz files were used for the ECD calculation in the paper :https://arxiv.org/abs/2007.08560
gsrun.py: ground-state calculation
td_calc.py: time -propagation for ECD
cdspecX.py: get rotatory strength for plotting
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2020
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Upphovspersoner
Department of Applied Physics
Esko Makkonen 
Patrick Rinke
Tuomas Rossi
Xi Chen - Upphovsperson
Simune Atomistics S.L.
Ask Hjorth Larsen - Upphovsperson
Universidad de Antioquia
Olga Lopez Acevedo - Upphovsperson
Zenodo - Utgivare
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