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.
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.
Striking parallelism between classical mechanics and quantum mechanics is evidenced for several bound system in a rather general form by introducing reasonably “quantum-mechanical momentum” from the Schrödinger equation. The following are proved: The “quantum-mechanical momentum” which is nearly equal to the corresponding classical momentum in “classical region” can be defined in the whole range of validity of the coordinate for the bound systems. In the same way as in classical mechanics, in quantum mechanics one can construct an associated wave accompanying a motion of a quantum particle and obeying the Schrödinger equation. The uniqueness condition on the associated wave throughout an orbit leads to the boundary condition on the wave function which is composed of the associated wave and to “quantum-mechanical quantization condition”, equivalently. In addition, all these quantum-mechanical quantities are approximately equal to the corresponding classical ones in the “classical region” of the coordinate. In particular it is demonstrated that even for a bound system of a singular (central) potential exists the ground state with the lowest energy eigenvalue. It is proved in one dimension that to any physical system obeying the Schrödinger equation always exists the corresponding classical system.
During 1925 three different but equivalent versions of quantum theory were proposed, Schrodinger proposed wave mechanics; Heisenberg developed matrix mechanics and Dirac-introduced operator theory. Considering the de Broglie's matter waves Erwin Schrödinger, an Austrian physicist, argued that if a particle like an electron behaves as a wave then the equation of wave motion could be successfully applied to it. He postulated a function varying in both space and time in a wave-like manner. Schrodinger set up a linear and time-dependent wave-like equation, called Schrodinger wave equation, to describe the wave aspect of a particle taking account of de Broglie's relation for wavelength. This chapter discusses the Schrodinger equation and explores the general properties of the solution of the Schrodinger equation. It verifies the Ehrenfest's theorem in certain interesting systems and solves equation for linear harmonic oscillator and shows that their solutions are identical to the solutions of classical equation of motion.
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.
Till 1925 the idea of what the quantum theory would be was unknown. During 1925 three different but equivalent versions of quantum theory were proposed – Schrödinger-proposed wave mechanics; Heisenberg-developed matrix mechanics and Dirac-introduced operator theory. Considering the de Broglie’s matter waves Erwin Schrödinger, an Austrian physicist, argued that if a particle like an electron behaves as a wave then the equation of wave motion could be successfully applied to it. He postulated a function varying in both space and time in a wave-like manner (hence called wave function and denoted it as ψ). This function is generally complex and assumed to contain information about a system. Schrödinger set up a linear and time-dependent wave-like equation, called Schrödinger wave equation, to describe the wave aspect of a particle taking account of de Broglie’s relation for wavelength. Physically, |ψ(X, t)|2, where ψ(X, t) is the solution of the Schrödinger equation, is interpreted as position probability density. That is, |ψ(X, t)|2 is the probability density of observing a particle at position X at time t. ψ does not give exact outcomes of observations but helps us to know all possible events and their probabilities . Further, the probability interpretation allows us to find the average or expected result of a set of measurements on a quantum system.
This chapter begins by exploiting the Einstein–de Broglie relation and the notion of symbol, as defined in Eq. (3.6.6). The following steps are the local and global conservation laws associated to the Schrödinger equation, the probabilistic interpretation of the wave function, the spreading of wave packets and transformation properties of wave functions. The solution of the Schrödinger equation for a given initial condition is then studied. For this purpose, one first expands the initial condition in terms of eigenfunctions of the Hamiltonian operator. This is then ‘propagated’ to determine the evolution of the wave function. Thus, one is led to consider the Green kernel of the Schrödinger equation, and the boundary conditions on the wave function that lead to complete knowledge of stationary states. A dynamics involving an isometric non-unitary operator is also studied. The chapter ends with an elementary introduction to harmonic oscillators and to the JWKB method in wave mechanics, plus examples on the Bohr–Sommerfeld quantization. From classical to wave mechanics The correspondence between differential operators and polynomials in k relies on the notion of the symbol defined in Eq. (3.6.6). Now we are aiming to pass from a function on phase space, i.e. the classical Hamiltonian, to an operator which, by analogy, is called the Hamiltonian operator. Such a transition is non-trivial because the map from symbols to operators contains some ambiguity. Such a transition is always possible if polynomials in p have constant coefficients. When this is not the case, i.e. if the coefficients are functions on the configuration space, there is an obvious ambiguity in the association of an operator with xp or px , for instance.
By using the formulation of quantum mechanics with classical pictures, the motion of a quantum is analysed for linear harmonic oscillator. On this occasion it is postulated that the quantum mechanical momentum of the quantum is approximately equal to the corresponding classical mechanical momentum in the region of validity of the coordinates. According to this analysis it is shown that the quantum mechanical motion well corresponds to the classical motion, and that the wave equation determines the associated wave along the whole orbit of the quantum in the configuration space and the uniqueness of the wave throughout the orbit plays an important role in quantum mechanics. In addition to the above, an attempt is made to make clear the well-known fact that classical mechanics with the quantization gives approximately the same results as quantum mechanics.