Presentation Information
[2P-11*]REKS Studio: an open-source tool for the ground and excited states of strongly correlated molecules
*Konstantin KOMAROV1, Michael Filatov (Gulak)2, Seung Kyu Min1,2 (1. UNIST | Ulsan National Institute of Science & Technology , 2. IBS | Institute for Basic Science)
Keywords:
Ensemble DFT,Strong correlation,Polyradicals,Automated code generation