Extending the Representation of Multistate Coupled Potential Energy Surfaces To Include Properties Operators Using Neural Networks: Application to the 1,21A States of Ammonia
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Abstract
A states of ammonia to show how to bring these advantages to the fit-coupled-surface method using a diabatic representation.
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Extending the Representation of Multistate Coupled Potential Energy Surfaces To Include Properties Operators Using Neural Networks: Application to the 1,21A States of Ammonia | Synapse