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README.md

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# Multipole expansion
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# PES2MP (Potential Energy Surface Mapping to Multipole Expansion Series)
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## Multipole expansion
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2D and 4D multipole expansion code (using Legendre polynomials and Spherical Harmonics respectively)
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for fitting PES into radial coefficients is provided as jupyter-notebook files. <br />
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Both codes use least square fit (achieved by taking pseudo-inverse of Legendre/Spherical-Harmonics coefficients stored in a 2D matrix).<br />
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Both codes use least square fit (achieved by taking the pseudo-inverse of Legendre/Spherical-Harmonics coefficients stored in a 2D matrix).<br />
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Currently limited to rigid rotor - atom (2D) and rigid rotor - rigid rotor collision
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For any quaries contact [Dr. T. J. Dhilip Kumar](mailto:dhilip@iitrpr.ac.in) cc: (mailto:kushwaha.apoorv@gmail.com)<br />
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For any queries contact [Dr. T. J. Dhilip Kumar](mailto:dhilip@iitrpr.ac.in) cc: (mailto:kushwaha.apoorv@gmail.com)<br />
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### File 1: 2D_multipole_inv.ipynb
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_Uses scipy.special for legendre coefficient_
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_Uses scipy.special for Legendre coefficient_
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2D PES (Atom - Rigid Rotor collision)<br />
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<img src="https://github.com/apoorv-kushwaha/Multipole/blob/main/jacobi22.png" width="250">

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