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HPQC-LABS/potfit
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Fits an anlalytic potential energy curve in order to reproduce spectroscopic or ab-initio data
Topics
machine-learning
statistics
energy
chemistry
physics
quantum
quantum-mechanics
least-squares
computational-chemistry
statistical-analysis
computational-physics
quantum-computing
fitting
curve-fitting
quantum-chemistry
potential
mathematical-modelling
spectroscopy
least-square-regression
diatomic-molecules
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