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AppliedMath

Lennard-Jones Oscillations in an Elastic Environment

José E. S. Bezerra, R. L. L. Vitória, F. M. O. Moucherek

Published Sep 30, 2025• 1 citation
Publisher

Abstract

In this purely analytical analysis, we have investigated the effects of a point-like defect in a continuous medium on a diatomic molecule under the influence of small oscillations arising from the Lennard-Jones potential. In the search for bound-state solutions, we have shown that the allowed values for the lowest energy state of the molecule are influenced by the presence of the defect. Furthermore, another quantum effect was observed: the stability radial point of the diatomic molecule depends on the system’s quantum numbers; it is quantized.

DOI
10.3390/appliedmath5040129

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In this purely analytical analysis, we have investigated the effects of a point-like defect in a continuous medium on a diatomic molecule under the influence of small oscillations arising from the Lennard-Jones potential. In the search for bound-state solutions, we have shown that the allowed values for the lowest energy state of the molecule are influenced by the presence of the defect. Furthermore, another quantum effect was observed: the stability radial point of the diatomic molecule depends on the system’s quantum numbers; it is quantized.
In this paper, we analytically investigate a diatomic molecule subject to the Morse potential under the small oscillations regime, immersed in a medium with a point defect representing impurities or vacancies in an elastic system. Initially, we apply the small oscillations method to the Morse potential to obtain an analogue to the harmonic potential, and then we solve the generalized Schrödinger equation considering the geometric effects of the defect. The solutions obtained for the bound states reveal that the energy levels and the radial stability point of the molecule are modified by the presence of the defect, depending on the parameters associated with the geometry of the medium. In a second step, we analyze the thermodynamic properties of the system in contact with a thermal reservoir at finite temperature. We derive analytical expressions for the internal energy, Helmholtz free energy, entropy, and specific heat, showing that all these quantities are influenced by the presence of the point defect. The results demonstrate how structural defects alter the quantum and thermodynamic behavior of confined molecules, contributing to the understanding of systems in non-trivial elastic media.
Abstract We have investigated a doubly anharmonic oscillator in an elastic medium characterized by the presence of a point-like defect, where we obtain analytically your solution of bound states. We show that it is not possible to obtain a unique expression for the energy profile of the quantum system, but rather an expression corresponding to each radial mode of the system. Furthermore, an interesting quantum effect is presented: the three parameters that characterize the doubly anharmonic oscillator are quantized, that is, they depend on the quantum numbers of the system.
We study the radial Schr\"odinger equation for a particle of mass mmm in the field of a singular attractive g2∕r4{g}^{2}∕{r}^{4}g2∕r4 potential with particular emphasis on the bound-states problem. Using the regularization method of Beane et al. [Phys. Rev. A 64, 042103 (2001)], we solve analytically the corresponding ``renormalization-group flow'' equation. We find in agreement with previous studies that its solution exhibits a limit cycle behavior and has infinitely many branches. We show that a continuous choice for the solution corresponds to a given fixed number of bound states and to low-energy phase shifts that vary continuously with energy. We study in detail the connection between this regularization method and a conventional method modifying the short-range part of the potential with an infinitely repulsive hard core. We show that both methods yield bound-states results in close agreement even though the regularization method of Beane et al. does not include explicitly any new scale in the problem. We further illustrate the use of the regularization method in the computation of electron bound states in the field of neutral polarizable molecules without dipole moment. We find the binding energy of sss-wave polarization bound electrons in the field of C60{\mathrm{C}}_{60}C60​ molecules to be 17 meV for a scattering length corresponding to a hard-core radius of the size of the molecule radius $(\ensuremath{\sim}3.37\phantom{\rule{0.3em}{0ex}}\mathrm{\AA{}})$. This result can be further compared with recent two-parameter fits using the Lennard-Jones potential yielding binding energies ranging from 3 to 25 meV.
The conditions that must be fulfilled by a certain physical system to apply geometric quantization prescription on it are investigated. These terms are sought as mathematical requirements, which can be traced in an analysis of integrable systems, from the perspective of both potential function and Hamiltonian vector field. The answer is found in momentum map critical points. Basically, a certain disposal of points that allow a momentum map C∗C^*C∗ isomorphism, of observables, with harmonic oscillator momentum map enforce geometric quantization rules. Following the general theory, two newly presented examples, which exhibits these properties, are quantified through geometric quantization prescription. The Lennard-Jones' type potential is one of the examples, it is known as describing molecules in interaction. We end with a third example that shows the local isomorphism of potentials do not induce C∗C^*C∗ isomorphism of observables.