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Cambridge University Press eBooks

Mechanical Vibrations and the Harmonic Oscillator Model

Uri Peskin

Published May 11, 2023• 0 citations
Publisher

Abstract

Mechanical motions of atoms near their equilibrium geometry are approximated by a universal mapping on a collection of independent harmonic oscillators. The respective frequencies are characteristic to the material, for example, lattice phonons or molecular vibrations. The quantum description of atomic motions involves the solution of the Schrödinger equation for the harmonic oscillator in the space of proper wave functions. The energy levels obtained are shown to be equally spaced where the level spacing is proportional to the oscillator frequency. The stationary solutions are identified in terms of Hermite polynomials, demonstrating remarkable differences from the classical harmonic oscillator. The importance of the zero-point energy is emphasized in the context of the stability of chemical bonds, where the Harmonic approximation is shown to be reasonably valid for typical interatomic bonds in standard thermal conditions. This explains the relevance of the harmonic approximation for analyzing the absorption spectrum of infrared radiation by molecules.

DOI
10.1017/9781108877787.009

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Mechanical motions of atoms near their equilibrium geometry are approximated by a universal mapping on a collection of independent harmonic oscillators. The respective frequencies are characteristic to the material, for example, lattice phonons or molecular vibrations. The quantum description of atomic motions involves the solution of the Schrödinger equation for the harmonic oscillator in the space of proper wave functions. The energy levels obtained are shown to be equally spaced where the level spacing is proportional to the oscillator frequency. The stationary solutions are identified in terms of Hermite polynomials, demonstrating remarkable differences from the classical harmonic oscillator. The importance of the zero-point energy is emphasized in the context of the stability of chemical bonds, where the Harmonic approximation is shown to be reasonably valid for typical interatomic bonds in standard thermal conditions. This explains the relevance of the harmonic approximation for analyzing the absorption spectrum of infrared radiation by molecules.
The harmonic oscillator is a useful model for the interpretation of many physical phenomena. It is used as a first approximation to the vibration of molecules and crystal lattices and for the quantization of electromagnetic fields, among other applications. One can solve the time-independent Schrodinger equation for the harmonic oscillator in many different ways; operator methods give rise to recurrence relations and generating functions for the stationary states. The coordinate representation renders the coordinate operator diagonal. In this particular representation the eigenvectors of the harmonic oscillator are functions of the coordinate that are commonly expressed in terms of Hermite polynomials. The chapter shows that calculation with the eigenfunctions of the harmonic oscillator is remarkably simple in the realm of the Lie algebras. The application of the bosonic algebra in theoretical physics and chemistry is so vast that it is impossible even to give a reasonable summary. An important application of the bosonic algebra is the modeling of simple quantum-mechanical systems.
The study of quantum properties of the harmonic oscillator is important in physics as many real-world systems oscillate harmonically. Motion of systems in a confined space is often modeled as being a quantized harmonic motion or, in first instance, is approximated by a harmonic motion. This chapter helps the reader to solve the equation employing an algebraic operator technique, which is based on the Dirac notation. This approach has several definite advantages and exploits the commutation relations among the operators involved and their properties. The chapter transforms the stationary Schrodinger equation into a second-order differential equation and finds the solution to the equation with the aid of a more advanced mathematical technique that involves special functions. The energy of a harmonic oscillator is quantized, with the sequence of values. The difference in energy between adjacent energy levels is equal to the energy of a single photon, ħω.
In physics, harmonic motion is among the most representative types of motion. A simple harmonic oscillator is often the source of any vibration with a restoring force proportional to Hooke’s law. Every minimum potential has a solution in the form of the harmonic oscillator potential. Little oscillations at the minimum are characteristic of almost all natural potentials and of many quanta mechanical systems. Harmonic motion is an essential building block for these more complex uses. The Schrödinger equation is a defining feature of the harmonic oscillator. Here, we demonstrate that the time-frequency plane is a useful tool for analyzing their dynamics. We numerically integrate several examples involving different input forces and demonstrate that the oscillations are clearly displayed and easily interpretable in the time-frequency plane.
In this chapter, the authors solve the Schrodinger equation for a harmonic oscillator using two methods, analytical method and algebraic method. They discuss the quantum properties of the harmonic oscillator. A harmonic oscillator is a system that exhibits simple harmonic motion or periodic motion, a motion that repeats itself after equal intervals of time. Many systems such as spring, simple pendulum, vibrating string and molecular vibration can be approximated as simple harmonic oscillators. The authors consider a simple harmonic oscillator, a spring whose spring constant is "k" attached to a mass "m" as a simple harmonic oscillator. They describe the Schrodinger equation in spherical coordinates. The authors also solve the three-dimensional Schrodinger equation for the hydrogen atom. For the hydrogen atom, the potential energy function is dependent only on radial distance and is independent of angular variables. The hydrogen atom consists of a positively charged proton surrounded by an electron that orbits around it.
Abstract We consider the time-independent Schrödinger equation for the harmonic oscillator potential and determine its bound states and energy levels in one spatial dimension using two approaches: the algebraic and the analytic method. Using the former, we introduce ladder operators: the annihilation and creation operators, as well as the occupation-number operator, and determine the ground state of the harmonic oscillator to be a Gaussian wave packet, while the latter method yields the general bound state solutions in terms of the Hermite polynomials. We further discuss the zero-point energy and uncertainty relation for the quantum harmonic oscillator and make a comparison to the classical harmonic oscillator. Finally, we examine the three-dimensional harmonic oscillator, which leads us to the description of systems with multiple degrees of freedom via the tensor product
When two atoms, held together firmly in a stable molecule are caused to vibrate, the vibrations may be treated approximately as motions of particles in a harmonic field. According to correspondence principle, at high quantum numbers, the oscillator should approach a macroscopic classical oscillator in behavior, e.g., a pendulum. The functions are particularly useful when discussing the screening effect of electrons in many electron atoms and the peaks of maximum probability corresponds to concentric shells strongly resembling the Bohr theory. The wave mechanical model on the other hand “spreads the electrons out” over all space, and so is in accord with Heisenberg’s principle.