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Routledge eBooks

Wave mechanics 1

P. C. W. Davies, David S. Betts

Published Apr 27, 2018• 0 citations
Publisher

Abstract

The study of the behaviour of microscopic systems using Schrodinger's wave equation is a branch of quantum mechanics known as wave mechanics. This approach is inadequate to deal with all problems of interest, but a remarkably wide range of processes can successfully be investigated solely with the theory. The physics of a particle which moves in a static potential is of particular interest. Classically, the energy of such a particle is conserved. The wave function is reminiscent of the classical problem of standing waves on a stretched string with fixed endpoints, with the stationary states corresponding to the normal modes of vibration. Just as there are discrete frequencies of vibration on the string, so there are discrete energy levels. The energy, which is a continuous parameter in classical mechanics, is 'quantized' to certain discrete energy levels.

DOI
10.1201/9780203741481-2

Related papers

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Introduction In this chapter we discuss the basic physical concepts and equations related to the behavior of particles in the nanoworld. We introduce the Schrödinger wave equation for particles and determine the ways to calculate observable physical quantities. We find that, in wave mechanics, the motion of a particle confined to a finite volume is always characterized by discrete values of the energy and standing-wave-like wavefunctions, i.e., such a motion is quantized. While motion in an infinite space (i.e., free motion) is not quantized and is described by propagating waves, the energy of the particle is characterized by a continuous range of values. Keeping in mind the diverse variants of nanostructures, by using wave mechanics we analyze some particular examples, which highlight important quantum properties of particles. Many of the examples analyzed can serve as the simplest models of nanostructures and will be exploited in following chapters to understand the fundamentals of processes in nanoelectronics. The Schrödinger wave equation From the previous chapter, we conclude that nanosize physical systems are quantum-mechanical systems, inasmuch as their sizes are comparable to typical de Broglie wavelengths of the particles composing these systems. In dealing with quantum-mechanical systems, one aims at determining the wavefunction of a single particle or of the whole system. As we will demonstrate in the subsequent discussion, knowledge of the wavefunction in quantum mechanics is sufficient to describe completely a particle or even a system of particles.

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Introducing a dimensional unit \hbar into classical mechanics, we make classical wave functions √ρ1exp (iS1/\hbar)-√ρ2exp (iS2/\hbar) for a one-particle system in the configuration space where √ρ1exp (iS1/\hbar) corresponds to the incident path (or one half) of an orbit and √ρ2exp (iS2/\hbar) to the outgoing (or another half), and ρ's and S's are densities and actions respectively. These classical wave functions are compared with the corresponding wave functions of solutions of the Schrödinger equation for three one-particle systems, the scattering by a Coulomb potential, the linear harmonic oscillator and an electron bound by a Coulomb potential. From the essential correspondence between them it is concluded that the Schrödinger wave function describes the steady, causal but a little imaginary motion of the one-particle system as √ρexp (iS/\hbar) in the configuration space where ρ is a density and S an action, and that the states which the wave equation describes exist continuously (not discrete) and the (discrete) stationary states are the ones where √ρexp (iS/\hbar) is uniquely determined throughout an orbit. The Dirac equation shows that an electron of optics (or the electromagnetic wave equation) can be considered as the Schrödinger (or Dirac) equation for the motion of a photon, a particle, in a potential. A quantum-electrodynamical wave equation which is composed of the Dirac equation with a Coulomb potential and the electromagnetic wave equation is constructed for the steady motion of a one-electron system without recource to the so-called second-quantization method. It gives finite energy shifts. A line shift is calculated: ΔE(2S1/2 →2P1/2) \cong709 Mc/s.

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The "quantum equation" should "carry the quantum conditions in itself" (Second Commun., p. 511); 2. There should be a special mathematical method for solving the stationary Schrödinger equation, which accounts for the non-classical character of the quantization problem, ie, which is different from the classical eigenvalue methods for calculating the (eigen)modes of strings, resonators and so on (ibid., p. 513);3. The derivation should uniquely decide, that the energy rather than the frequency values are discretized (ibid., pp.511, 519), since only the former means true quantization, while the latter corresponds to the classical discretization mentioned in requirement 2;4. The use of the classical expressions for the kinetic and potential energies should be justified (Fourth Commun., p. 113).Schrödinger's requirements 1 and 2 mean, that -contrary to the very title of the papersquantization is actually not an eigenvalue problem.For in the latter the discretization is imposed not by the differential equation itself, but by the boundary conditions, and this is the classical discretization for standing waves in organ pipes etc.I will fulfill all four requirements by treating quantization as a selection problem.The number of stationary states of a quantum system is smaller than that of a classical system [6].I will describe, (i), the selection of quantum systems out of the set of all mechanical systems and, (ii), the selection of their stationary states out of the continuum of classical stationary states.Earlier arguing [19][10] is improved and extended in several essential points. Elements of an Eulerian representation of classical mechanics Euler's axiomsLeonhard Euler [20][21][22][23][24][25] was the first to apply the calculus to all areas of mathematics and mechanics of his time, and he developed novel methods, such as the calculus of variations and topology.Moreover, he worked out an axiomatic of mechanics, where only Newton's Law (axiom) 1 concerning the conservation of stationary states is retained as an axiom, while Newton's Laws (axioms) 2 and 3 concerning the change of stationary states are treated as problems to be solved (for a detailed account, see [19][10][45]).This allows for introducing alternative equations of motion without loosing the contact to CM.The existence of stationary states is postulated in the following axioms (as in Newton's axioms, rotatory motion is not considered). Axiom E0: Every body is either resting or moving.This means, that the subsequent axioms E1 and E2 are not independent of each other; they exclude each other and, at once, they are in harmony with each other [22].

InTech eBooks•Apr 3, 2013•3 citations

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This paper examines the particle-in-a-box model as a simple but powerful example that highlights the fundamental differences between classical and quantum physics. In classical mechanics, a particle confined between two rigid walls moves with constant velocity and has a uniform probability of being found anywhere in the box; its energy can take any continuous value. In contrast, solving the Schrödinger equation for an infinite potential well yields standing-wave solutions whose wavelengths must satisfy fixed boundary conditions. These constraints produce discrete, quantized energy levels and non-uniform probability distributions, features with no classical analog. Through analytical derivations and numerical simulations using Python, we visualize wave functions, probability densities, and the statistical convergence of random samples toward the theoretical quantum distributions. Comparisons with the classical uniform distribution emphasize how quantum mechanics replaces certainty with probability and continuity with quantization. Finally, we connect the model to real physical systems—such as electrons confined in atoms—to show how this idealized system provides essential insight into the structure and stability of matter.

MATTER International Journal of Science and Technology•Jun 17, 2026•0 citations
The study of the behaviour of microscopic systems using Schrodinger's wave equation is a branch of quantum mechanics known as wave mechanics. This approach is inadequate to deal with all problems of interest, but a remarkably wide range of processes can successfully be investigated solely with the theory. The physics of a particle which moves in a static potential is of particular interest. Classically, the energy of such a particle is conserved. The wave function is reminiscent of the classical problem of standing waves on a stretched string with fixed endpoints, with the stationary states corresponding to the normal modes of vibration. Just as there are discrete frequencies of vibration on the string, so there are discrete energy levels. The energy, which is a continuous parameter in classical mechanics, is 'quantized' to certain discrete energy levels.
Introduction In this chapter we discuss the basic physical concepts and equations related to the behavior of particles in the nanoworld. We introduce the Schrödinger wave equation for particles and determine the ways to calculate observable physical quantities. We find that, in wave mechanics, the motion of a particle confined to a finite volume is always characterized by discrete values of the energy and standing-wave-like wavefunctions, i.e., such a motion is quantized. While motion in an infinite space (i.e., free motion) is not quantized and is described by propagating waves, the energy of the particle is characterized by a continuous range of values. Keeping in mind the diverse variants of nanostructures, by using wave mechanics we analyze some particular examples, which highlight important quantum properties of particles. Many of the examples analyzed can serve as the simplest models of nanostructures and will be exploited in following chapters to understand the fundamentals of processes in nanoelectronics. The Schrödinger wave equation From the previous chapter, we conclude that nanosize physical systems are quantum-mechanical systems, inasmuch as their sizes are comparable to typical de Broglie wavelengths of the particles composing these systems. In dealing with quantum-mechanical systems, one aims at determining the wavefunction of a single particle or of the whole system. As we will demonstrate in the subsequent discussion, knowledge of the wavefunction in quantum mechanics is sufficient to describe completely a particle or even a system of particles.
Introducing a dimensional unit \hbar into classical mechanics, we make classical wave functions √ρ1exp (iS1/\hbar)-√ρ2exp (iS2/\hbar) for a one-particle system in the configuration space where √ρ1exp (iS1/\hbar) corresponds to the incident path (or one half) of an orbit and √ρ2exp (iS2/\hbar) to the outgoing (or another half), and ρ's and S's are densities and actions respectively. These classical wave functions are compared with the corresponding wave functions of solutions of the Schrödinger equation for three one-particle systems, the scattering by a Coulomb potential, the linear harmonic oscillator and an electron bound by a Coulomb potential. From the essential correspondence between them it is concluded that the Schrödinger wave function describes the steady, causal but a little imaginary motion of the one-particle system as √ρexp (iS/\hbar) in the configuration space where ρ is a density and S an action, and that the states which the wave equation describes exist continuously (not discrete) and the (discrete) stationary states are the ones where √ρexp (iS/\hbar) is uniquely determined throughout an orbit. The Dirac equation shows that an electron of optics (or the electromagnetic wave equation) can be considered as the Schrödinger (or Dirac) equation for the motion of a photon, a particle, in a potential. A quantum-electrodynamical wave equation which is composed of the Dirac equation with a Coulomb potential and the electromagnetic wave equation is constructed for the steady motion of a one-electron system without recource to the so-called second-quantization method. It gives finite energy shifts. A line shift is calculated: ΔE(2S1/2 →2P1/2) \cong709 Mc/s.
Quantum mechanics is introduced here as a fundamental theory that must treat particles equally often as waves. Here, classical waves are introduced in some detail, with discussions of the important concepts of waves: medium, amplitude, frequency, wavelength, period, harmonics, interference, standing waves, etc. Waves can be oscillatory waves with a repeating pattern, or pulse waves, which are localized in space. All of the elements of waves are important in understanding how the Schrödinger equation describes particles. Classical standing waves must have wave lengths that fit between boundaries giving them discrete allowed frequencies, a harbinger of quantized energies in quantum mechanics. Complicated waves can be analyzed in terms of their component frequencies, the fundamental idea of Fourier analysis. This discussion shows that a classical wave has a limit in how accurately one can specify simultaneously the wave’s position and frequency, in analogy with Heisenberg uncertainty principle of quantum mechanics.
Quantum mechanics is the fundamental theory of nature at small scales and low energies of atoms and subatomic particles. Quantum mechanics is inescapable. Nearly all fields of modern physics, from elementary particles to the big bang, from semiconductors to solar energy cells, are related to quantum physics. Particles have characteristic trait of both particles and waves. The Schrodinger equation is the basic equation of quantum mechanics. The Schrodinger equation was established based on the quantization of energy conservation using quantum operators and the de Broglie relation. Wave function plays an important role in quantum mechanics. The probability interpretation assumes that the norm of the wave function measures the probability of the system in a particular coordinate or representation, in which the total probability is normalized.
The "quantum equation" should "carry the quantum conditions in itself" (Second Commun., p. 511); 2. There should be a special mathematical method for solving the stationary Schrödinger equation, which accounts for the non-classical character of the quantization problem, ie, which is different from the classical eigenvalue methods for calculating the (eigen)modes of strings, resonators and so on (ibid., p. 513);3. The derivation should uniquely decide, that the energy rather than the frequency values are discretized (ibid., pp.511, 519), since only the former means true quantization, while the latter corresponds to the classical discretization mentioned in requirement 2;4. The use of the classical expressions for the kinetic and potential energies should be justified (Fourth Commun., p. 113).Schrödinger's requirements 1 and 2 mean, that -contrary to the very title of the papersquantization is actually not an eigenvalue problem.For in the latter the discretization is imposed not by the differential equation itself, but by the boundary conditions, and this is the classical discretization for standing waves in organ pipes etc.I will fulfill all four requirements by treating quantization as a selection problem.The number of stationary states of a quantum system is smaller than that of a classical system [6].I will describe, (i), the selection of quantum systems out of the set of all mechanical systems and, (ii), the selection of their stationary states out of the continuum of classical stationary states.Earlier arguing [19][10] is improved and extended in several essential points. Elements of an Eulerian representation of classical mechanics Euler's axiomsLeonhard Euler [20][21][22][23][24][25] was the first to apply the calculus to all areas of mathematics and mechanics of his time, and he developed novel methods, such as the calculus of variations and topology.Moreover, he worked out an axiomatic of mechanics, where only Newton's Law (axiom) 1 concerning the conservation of stationary states is retained as an axiom, while Newton's Laws (axioms) 2 and 3 concerning the change of stationary states are treated as problems to be solved (for a detailed account, see [19][10][45]).This allows for introducing alternative equations of motion without loosing the contact to CM.The existence of stationary states is postulated in the following axioms (as in Newton's axioms, rotatory motion is not considered). Axiom E0: Every body is either resting or moving.This means, that the subsequent axioms E1 and E2 are not independent of each other; they exclude each other and, at once, they are in harmony with each other [22].
This paper examines the particle-in-a-box model as a simple but powerful example that highlights the fundamental differences between classical and quantum physics. In classical mechanics, a particle confined between two rigid walls moves with constant velocity and has a uniform probability of being found anywhere in the box; its energy can take any continuous value. In contrast, solving the Schrödinger equation for an infinite potential well yields standing-wave solutions whose wavelengths must satisfy fixed boundary conditions. These constraints produce discrete, quantized energy levels and non-uniform probability distributions, features with no classical analog. Through analytical derivations and numerical simulations using Python, we visualize wave functions, probability densities, and the statistical convergence of random samples toward the theoretical quantum distributions. Comparisons with the classical uniform distribution emphasize how quantum mechanics replaces certainty with probability and continuity with quantization. Finally, we connect the model to real physical systems—such as electrons confined in atoms—to show how this idealized system provides essential insight into the structure and stability of matter.