Enabling complete multichannel nonadiabatic dynamics [electronic resource] : A global representation of the two-channel coupled, 1,2¹A and 1³A states of NH₃ using neural networks.

Bibliographic Details

Online Access:	Full Text (via OSTI)
Corporate Author:	United States. Department of Energy. Chicago Operations Office
Format:	Government Document Electronic eBook
Language:	English
Published:	Washington, D.C. : Oak Ridge, Tenn. : United States. Department of Energy. Office of Science ; Distributed by the Office of Scientific and Technical Information, U.S. Department of Energy, 2021.
Subjects:	37 inorganic, organic, physical, and analytical chemistry 71 classical and quantum mechanics, general physics Quantum dynamics with ab initio potentials Spinorbit interactions Transition moment Potential energy surfaces Artificial neural networks Diabatization Inorganic, organic, physical, and analytical chemistry Classical and quantum mechanics, general physics Spin-orbit interactions