Solving the Kratzer oscillator in diatomic molecules: an algebraic approach based on the so(2,1) Lie algebra
- 31 July 2021
- journal article
- research article
- Published by IOP Publishing in Physica Scripta
- Vol. 96 (8), 085401
- https://doi.org/10.1088/1402-4896/abfef1
Abstract
In this article, we solve the rovibrational Schrodinger equation for diatomic molecules using the Kratzer oscillator bymeans of the so(2, 1) Lie algebra. Themain contribution of our algebraic approach is that this allows us to reduce the degree of the Schrodinger equation giving thus a first-order differential equation, by which the vibrational ground state wave function is obtained, clearly and in few steps. The energies are obtained by scaling of the observables r and p(r) which preserves the canonical commutation relation, and a recurrence relation for the bound states written in terms of the raising operator is also given. Also we calculate the rovibrational spectrum of H-2 and CO molecules, showing that the energies of the Kratzer oscillator not only depends on vibrational and rotational quantum numbers, but also in the difference between the vibrational quantum number with its minimum value, for a fixed l. The article ends giving a physical insight of the symmetry transformation of the SO(2, 1) Lie group in order to show the relationship between this group and its associated Lie algebra. Finally, as an illustrative example, we calculated the selection rules for the vibrational quantum number, from a purely algebraic approach.Keywords
Funding Information
- project DI-17-20/REG of the Vicerrectoria de Investigacion y Doctorado of the Universidad Andres Bello (DI-17-20/REG)
This publication has 26 references indexed in Scilit:
- The diatomic molecular spectroscopy databaseJournal of Cheminformatics, 2020
- The Virial Theorem and Covalent BondingThe Journal of Physical Chemistry A, 2018
- Determination of Interatomic Potentials of , , , and by Wave Function ImagingPhysical Review Letters, 2018
- H 2 formation on interstellar dust grains: The viewpoints of theory, experiments, models and observationsMolecular Astrophysics, 2017
- A toy model for a diatomic moleculePhysica Scripta, 2016
- The Two Electron Molecular Bond Revisited: From Bohr Orbits to Two-Center OrbitalsPublished by Elsevier BV ,2005
- Comparisons of Morse and harmonic oscillator models for vibration-rotation excitation of H2 by Li+The Journal of Chemical Physics, 1974
- Toward an Understanding of Potential-Energy Functions for Diatomic MoleculesThe Journal of Chemical Physics, 1968
- Accurate Electronic Wave Functions for theMoleculeReviews of Modern Physics, 1960
- Die ultraroten Rotationsspektren der HalogenwasserstoffeThe European Physical Journal A, 1920