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CRC Press eBooks

The Rotator

Ahmad Amer

Published Nov 5, 2025• 0 citations
Publisher

Abstract

This chapter examines the quantum mechanical rotator, a model that effectively approximates the behavior of a diatomic molecule when radial vibrations are negligible. The energy eigenvalues and the degeneracy of energy levels are derived through straightforward calculations. The s-state is presented as an example of a state with a constant probability density, independent of spatial coordinates. The p-state is also analyzed, and its eigenstates are interpreted to reveal the most probable particle trajectories. A qualitative comparison is made between these quantum predictions and the classical description of rotational motion. Metadata/Keywords: quantum rotator, diatomic molecule, energy eigenvalues, degeneracy, probability density, classical comparison, angular momentum

DOI
10.1201/9781003677109-6

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This chapter examines the quantum mechanical rotator, a model that effectively approximates the behavior of a diatomic molecule when radial vibrations are negligible. The energy eigenvalues and the degeneracy of energy levels are derived through straightforward calculations. The s-state is presented as an example of a state with a constant probability density, independent of spatial coordinates. The p-state is also analyzed, and its eigenstates are interpreted to reveal the most probable particle trajectories. A qualitative comparison is made between these quantum predictions and the classical description of rotational motion. Metadata/Keywords: quantum rotator, diatomic molecule, energy eigenvalues, degeneracy, probability density, classical comparison, angular momentum
The quantum mechanical two-body problem is analyzed. Separating the center of mass from the relative motion Hamiltonian and focusing on “central potentials,” the stationary Schrödinger equation for the relative motion in spherical coordinates is split into radial and angular equations. The universal angular equation is identified as the eigenvalue equation of the angular momentum operator, whose proper solutions are the spherical harmonics. For fixed interparticle distance, the two-body system is mapped on a “rigid rotor” Hamiltonian, whose eigenstates coincide with the angular momentum eigenstates. In diatomic molecules, timescale separation between fast vibrations (radial motion) and slow rotations (angular motion) enables one to invoke a rigid rotor approximation for interpreting rotational absorption spectrum in the microwave regime. Deviations from the predictions of the rigid rotor model and their manifestation in experiments are analyzed by explicit solution of the stationary Schrödinger equation for two particles in the presence of vibration–rotation coupling.
This chapter presents a detailed analysis of the hydrogen-like atom within the framework of quantum mechanics. The radial Schrödinger equation is solved for the Coulomb potential, yielding the quantized energy spectrum, energy eigenstates, and the associated degeneracy of levels. The expectation value of the electron's radius is calculated, and a comparison is drawn between quantum predictions and classical circular orbits. The quantum two-body problem is introduced to account for the motion of the nucleus, revealing its influence on the energy levels of the electron. This correction underpins the operation of the mass spectrometer and supports the spectroscopic identification of hydrogen isotopes such as deuterium and tritium. The analysis also explains how similar effects confirm the presence of helium in the solar spectrum through astrophysical observations. Metadata/Keywords: hydrogen-like atom, Coulomb potential, energy spectrum, quantum orbits, nucleus motion, two-body problem, mass spectrometer, hydrogen isotopes, helium, solar spectrum
Abstract This chapter treats rotations in three dimensions and the angular momentum quantum mechanically. The angular momentum is a 3-vector that plays the same role in the kinetic energy of rotating particles as the linear momentum 3-vector plays in the kinetic energy for translational motion. The quantum operator for the three components do not commute, i.e. the full vector cannot be known. Each component commutes with the operator for the square-length of the angular momentum vector, and therefore one opts for calculating the square-length and one of the components, z, referred to as the projection. The angular momentum is quantized. The (azimuthal) quantum number ℓ = 0,1,2,3… quantifies the square-length as ℓ(ℓ+1), and the projection is quantified by the (magnbetic) quantum number mℓ = -ℓ…ℓ in integer steps. The eigenfunctions are called spherical harmonics. A ‘rigid rotor’ model is set up to treat the rotational spectrum of a diatomic molecule.
This chapter focuses on the motion first on a circle and then on the surface of a sphere. It discusses the imposition of certain constraints on the wavefunction which shows how the energy and angular momentum of a rotating particle are quantized. It also examines the energy and the angular momentum of a rotating object which are quantized. The chapter reviews quantum mechanics and shows what they reveal about rotational motion. The chapter also considers a particle of mass m moving in a circular path of radius r in the xy-plane. It highlights translational motion which focuses on linear momentum, p and analogous angular momentum, J if rotational motion is considered.
In this chapter we shall treat two of the most important observables of quantum mechanical systems: angular momentum and spin. We shall argue that angular momentum is the generator of rotations. In quantummechanics, angular momentum is quantized in units of the reduced Planck constant. The quantization of angular momentum is dealt with by finding the angular momentum eigenvalues and eigenstates. We shall then apply the theory of angular momentum to study the hydrogen atom. Spin is an intrinsic angular momentum of subatomic particles and therefore corresponds to an important intrinsic degree of freedom. We shall discuss briefly how spin was discovered and many of its important properties. Finally, we shall also explore here some further subtleties of quantum theory.a When we consider quantum systems in two or three spatial dimensions, we need to take into account also the effect of rotations. In this case, we need to introduce a physical quantity called the angular momentum, that is, themomentum induced by or connected with rotations. In classical physics the angular momentum of a particle about a given origin is defined by [see Fig. 8.1]
This chapter presents key results on angular momentum in quantum mechanics, beginning with a theorem on the simultaneous diagonalization of commuting operators. The eigenvalues and eigenstates of both the total angular momentum operator and its z-component are derived. For a quantum rotator in the p-state with zero magnetic quantum number, it is shown that the most probable trajectory lies in a plane containing the z-axis, and the angular momentum vector is perpendicular to it. The procedure for angular momentum addition is explained in detail, including the use of Clebsch–Gordan coefficients to perform the explicit decomposition of tensor products of irreducible representations. The Bloch sphere representation of qubit spin states is introduced. The chapter then provides an experimental background to the discovery of spin, introduces the Pauli matrices, and demonstrates how they act on spin states. It concludes with the formulation of the Pauli equation, which incorporates spin into the framework of nonrelativistic quantum mechanics. Metadata/Keywords: angular momentum, simultaneous diagonalization, magnetic quantum number, Clebsch–Gordan coefficients, spin, Pauli matrices, Bloch sphere, spin states, tensor product, Pauli equation