GitHub / QuantumDynamicsLab / PES2MP_ipynb
PES2MP: Get radial coefficients from PES via multipole expansion
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PURL: pkg:github/QuantumDynamicsLab/PES2MP_ipynb
Stars: 1
Forks: 0
Open issues: 0
License: mit
Language: Jupyter Notebook
Size: 4.04 MB
Dependencies parsed at: Pending
Created at: almost 2 years ago
Updated at: 4 months ago
Pushed at: almost 2 years ago
Last synced at: 8 days ago
Topics: astrochemistry, chemical-physics, collision, computational-chemistry, curve-fitting, legendre-polynomials, molscat, multipole, multipole-expansion, potential-energy-surface, scattering, spherical-harmonics, supervised-machine-learning, theoretical-chemistry