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README.md

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![2D PES (Atom - Rigid Rotor)](https://github.com/apoorv-kushwaha/Multipole/blob/main/jacobi22.png)
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# Citation
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---
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output:
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md_document:
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variant: markdown_github
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bibliography: bibliography.bib
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---
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@article{Kushwaha2023Jan,
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author = {Kushwaha, Apoorv and Kumar, Thogluva Janardhanan Dhilip},
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title = {{Benchmarking PES-Learn's machine learning models predicting accurate potential energy surface for quantum scattering}},
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journal = {Int. J. Quantum Chem.},
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volume = {123},
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number = {1},
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pages = {e27007},
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year = {2023},
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month = jan,
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issn = {0020-7608},
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publisher = {John Wiley {\&} Sons, Ltd},
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doi = {10.1002/qua.27007}
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}
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[@benchPES]
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File 2: Use 4D_SF_expansion.ipynb
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4D PES (Two Rigid Rotors)

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