A neural network-based four-body potential energy surface for parahydrogen
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资源简介：
We created an isotropic ab initio four-body potential energy surface (PES) for parahydrogen.The energies were calculated using the CCSD(T) method, with an AVDZ atom-centred basis set. This repository contains the input and output files for the ab initio calculations. A detailed description of the data is provided in the README.md file.
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Zenodo创建时间：
2024-05-27
