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lines changed Original file line number Diff line number Diff line change @@ -11,20 +11,14 @@ File 1: 2D_multipole_inv.ipynb
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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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