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A Practical Approach to Multivariate Interpolation

S. Schulz
Journal / Anthology

Computers in Physics
Year: 1997
Volume: 11
Issue: 6
Page range: 647-659

We present a simple multivariate interpolation scheme of arbitrary dimensionality based on Mathematica. The only limitation of the scheme is that the data must be distributed over a regular tensor-product grid. Since most software libraries fail to include a multivariate interpolation scheme that goes beyond three dimensions, the implemented code should prove useful in many applications that require interpolation in more than three variable. As an application, we use our program to construct smooth molecular potential-energy functions from data obtained by electronic structure calculations. For the three-dimensional case we compare the interpolants generated by our code to those resulting from standard library routines.

*Applied Mathematics > Numerical Methods