Highly Accurate Description of Long-Range Interactions through the Combination of Neural Networks and Physical Models

arxiv(2024)

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摘要
We present a simple and general way to accurately describe long-range interactions between atoms and molecules through combining neural networks with physical models. Demonstrations on the H_3, Li_3 and 2KRb systems illustrate the exceptional extrapolation capabilities of the trained model, supported by underlying physical models. More importantly, the model exhibits high accuracy at energy scales below a few hundred millikelvin, where the reliability of ab initio methods diminishes.
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