Machine Learning the Hohenberg-Kohn Map to Molecular Excited States

The dataset and code used in paper”Machine Learning the Hohenberg-Kohn Map to Molecular Excited States” For detailed information of each file, see Readme.txtWJG acknowledges financial support from the National Natural Science Foundation of China (NSFC), grant no.~22173060), the NSFC Fund for International Excellent Young Scientists (grant no.~22150610466), the Ministry of Science and Technology of the People's Republic of China (MOST) National Foreign Experts Program Fund (grant No.~ QN2021013001L), and the MOST Foreign Young Talents Program (grant no.~WGXZ2022006L). MET acknowledges support from the National Science Foundation (grant no. CHE-1955381). LV-M acknowledges support from the NYU University Research Challenge Fund. This project was supported in whole (or in part) by the NYU Shanghai Boost Fund