Notes on relative equilibria of isosceles molecules in classical approximation

DOI10.1063/1.5028537zbMATH Open1406.81100arXiv1810.03058OpenAlexW3101484609WikidataQ128688531 ScholiaQ128688531MaRDI QIDQ4621266FDOQ4621266

Authors: Damaris McKinley, Daniel Paşca, Cristina Stoica 

Publication date: 11 February 2019

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

Abstract: We study a classical model of isosceles triatomic "A-B-A" molecules. The atoms, considered mass points, interact mutually via a generic repulsive-attractive binary potential. First we show that the steady states, or relative equilibria (RE), corresponding to rotations about the molecule symmetry axis may be determined qualitatively assuming the knowledge of 1) the shape of the binary interaction potential, 2) the equilibrium diatomic distances (i.e., the equilibrium bond length) of the A-A and A-B molecules, and 3) the distance at which the RE of the diatomic A-A molecule ceases to exist. No analytic expression for the interaction potentials is needed. Second we determine the stability of the isosceles RE modulo rotations using geometric mechanics methods and using Lennard-Jones diatomic potentials. As a by-product, we verify the qualitative results on RE existence and bifurcation. For isosceles RE we employ the Reduced Energy-Momentum method presented in [J.E. Marsden, Lectures in Mechanics, Cambridge University Press, 1992], whereas for linear (trivial isosceles) RE we apply the Symplectic Slice method, a technique based on the findings in the paper [R.M. Roberts, T. Schmah and C. Stoica, Relative equilibria for systems with configurations space isotropy, J. Geom. Phys., 56, 762, (2006)].

Full work available at URL: https://arxiv.org/abs/1810.03058

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Mathematics Subject Classification ID

Differential geometric methods (tensors, connections, symplectic, Poisson, contact, Riemannian, nonholonomic, etc.) for problems in mechanics (70G45) Molecular physics (81V55) Three-body problems (70F07)

Cites Work

• Lectures on Mechanics
• Title not available (Why is that?)
• Interatomic forces and gas theory from Newton to Lennard-Jones
• Relative equilibria in systems with configuration space isotropy
• Euler-Poincaré reduction for systems with configuration space isotropy
• Stability for Lagrangian relative equilibria of three-point-mass systems
• Relative equilibria of molecules

Cited In (2)

• Anisotropic two-body problem under the Buckingham potential
• Reviewing the roots of continuum formulations in molecular systems. Part II: Energy and angular momentum balance equations

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