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Neural Networks-based Strategy to Construct Diabatic Potential Energy Surfaces (2020-09-15)
The nonadiabatic process is ubiquitous in physical chemistry. In principle, dynamical simulations of nonadiabatic processes can be performed in the adiabatic representation.However, the derivative couplings are usually sharply varying fu...... >
Scientists Synthesize Lead-free Zirconium-based Vacancy Ordered Double Perovskite Nan... (2020-09-07)
In recent years, all-inorganic CsPbX3 (X = Cl, Br, I) perovskite nanocrystals have attracted extensive research attention due to their excellent photoelectric properties. However, the problems of Pb toxicity and poor stability hinder the...... >
Scientists Observe Geometric Phase Effect in Chemical Reaction below Conical Intersec... (2020-08-21)
The geometric phase (GP) effect is an important quantum dynamical phenomenon. It represents the phase acquired when a quantum state is adiabatically transported around a closed circuit in the parameter space while remaining in the same H...... >
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