Roadmap to spline-fitting potentials in high dimensions

DOI10.1007/s10910-013-0173-4zbMath1312.65016OpenAlexW2085357632WikidataQ57966358 ScholiaQ57966358MaRDI QIDQ364631

Mohammad Hasan, M. Dambrine

Publication date: 9 September 2013

Published in: Journal of Mathematical Chemistry (Search for Journal in Brave)

Full work available at URL: http://hdl.handle.net/10316/44348

zbMATH Keywords

splinespotential energy surfacesshape-preserving splines

Mathematics Subject Classification ID

Numerical computation using splines (65D07) Numerical methods for initial value problems involving ordinary differential equations (65L05)

Related Items (1)

A general code for fitting global potential energy surfaces via CHIPR method: triatomic molecules

Cites Work

• Positivity-preserving interpolation of positive data by rational cubics
• Multidimensional spline integration of scattered data
• Numerical Computing with <scp>Matlab</scp>
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