physics.chem-ph cs.LG
Machine Learning Nonadiabatic Dynamics: Eliminating Phase Freedom of Nonadiabatic Couplings with the State-Intraction State-Averaged Spin-Restricted Ensemble-Referenced Kohn-Sham Approach
Sung Wook Moon Soohaeng Yoo Willow Tae Hyeon Park Seung Kyu Min Chang Woo Myung