Analysis of the valley-ridge inflection points through the partitioning technique of the Hessian eigenvalue equation

DOI10.1007/S10910-012-0134-3zbMath1447.81211OpenAlexW2136242935MaRDI QIDQ1945534

Josep Maria Bofill, Wolfgang Quapp

Publication date: 8 April 2013

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

Full work available at URL: https://doi.org/10.1007/s10910-012-0134-3

zbMATH Keywords

potential energy surfacevalley-ridge inflection pointbifurcation of reaction pathLöwdin partitioning technique

Mathematics Subject Classification ID

General topics in linear spectral theory for PDEs (35P05) Selfadjoint operator theory in quantum theory, including spectral analysis (81Q10) Molecular physics (81V55)

Related Items (1)

Some remarks on the model of the extended gentlest ascent dynamics

Cites Work

• Unnamed Item
• Unnamed Item
• Reaction pathways and convexity of the potential energy surface: Application of Newton trajectories
• Topography of cyclopropyl radical ring opening to allyl radical on the CASSCF(3,3) surface: Valley-ridge inflection points by Newton trajectories
• Eigenvalues of rank-one updated matrices with some applications

This page was built for publication: Analysis of the valley-ridge inflection points through the partitioning technique of the Hessian eigenvalue equation