https://www.selleckchem.com/pr....oducts/pim447-lgh447
In this work, we report the potential energy surface between superatoms (SPES) based on first-principles theory. The calculations show that superatoms have SPES crossing behavior between different electronic states similar to an atomic potential energy surface (PES). However, unlike atoms, the relative rotation between superatoms results in new dimensions for the SPES. The rotation is divided into two types, around the direction of the line between two superatoms and perpendicular to it. At the equilibrium distance, the former rot
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