Building symmetric polynomials to fit a potential energy surface: application to an A₂ B₂ molecule

DOI10.1007/S10910-013-0284-YMaRDI QIDQ2014789zbMATH OpenOpenAlexFDO

Authors Daniela V. Coelho, João Brandão

Publication date 16 June 2014

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

Full work available at URL https://doi.org/10.1007/s10910-013-0284-y

zbMATH Keywords

integrity basisinvariant polynomial functionpermutation symmetry groupsymmetric potential energy function

Mathematics Subject Classification ID

Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)

Recommendations

• Symmetry-adapted polynomial basis for global potential energy surfaces-applications to \(XY_{4}\) molecules
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Cites work

• Error-Correcting Codes and Invariant Theory: New Applications of a Nineteenth-Century Technique
• Symmetry-adapted polynomial basis for global potential energy surfaces-applications to \(XY_{4}\) molecules

Cited in

(4)

• Potential energy surface for linear triatomic molecules: An algebraic method
• Symmetry-adapted polynomial basis for global potential energy surfaces-applications to \(XY_{4}\) molecules
• A fast algorithm for the construction of integrity bases associated to symmetry-adapted polynomial representations: application to tetrahedral XY\(_{\mathrm{4}}\) molecules
• An application of the dynamical Lie algebraic method to potential energy surface of the stable linear asymmetric tetratomic molecules

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