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arXiv:2302.13416 · Royal Society Open Science

Revisiting Schrödinger’s fourth-order, real-valued wave equation and the implication from the resulting energy levels

Nicos Makris

Published Dec 1, 2023• 2 citations
arXivHTMLPDF

Abstract

vol. 81, 1926 paper, Schrödinger has developed a clear understanding about the wave equation that produces the correct quadratic dispersion relation for matter-waves and he first presents a real-valued wave equation that is fourth-order in space and second-order in time. In the view of the mathematical difficulties associated with the eigenvalue analysis of a fourth-order, differential equation in association with the structure of the Hamilton-Jacobi equation, Schrödinger splits the fourth-order real operator into the product of two, second-order, conjugate complex operators and retains only one of the two complex operators to construct his iconic second-order, complex-valued wave equation. In this paper, we show that Schrödinger's original fourth-order, real-valued wave equation is a stiffer equation that produces higher energy levels than his second-order, complex-valued wave equation that predicts with remarkable accuracy the energy levels observed in the atomic line spectra of the chemical elements. Accordingly, the fourth-order, real-valued wave equation is too stiff to predict the emitted energy levels from the electrons of the chemical elements; therefore, the paper concludes that quantum mechanics can only be described with the less stiff, second-order, complex-valued wave equation.

DOI
10.1098/rsos.230793

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vol. 81, 1926 paper, Schrödinger has developed a clear understanding about the wave equation that produces the correct quadratic dispersion relation for matter-waves and he first presents a real-valued wave equation that is fourth-order in space and second-order in time. In the view of the mathematical difficulties associated with the eigenvalue analysis of a fourth-order, differential equation in association with the structure of the Hamilton-Jacobi equation, Schrödinger splits the fourth-order real operator into the product of two, second-order, conjugate complex operators and retains only one of the two complex operators to construct his iconic second-order, complex-valued wave equation. In this paper, we show that Schrödinger's original fourth-order, real-valued wave equation is a stiffer equation that produces higher energy levels than his second-order, complex-valued wave equation that predicts with remarkable accuracy the energy levels observed in the atomic line spectra of the chemical elements. Accordingly, the fourth-order, real-valued wave equation is too stiff to predict the emitted energy levels from the electrons of the chemical elements; therefore, the paper concludes that quantum mechanics can only be described with the less stiff, second-order, complex-valued wave equation.
Using a variational formulation, we show that Schrodinger's 4th-order, real-valued matter-wave equation which involves the spatial derivatives of the potential V(r), produces the precise eigenvalues of Schrodinger's 2nd-order, complex-valued matter-wave equation together with an equal number of negative, mirror eigenvalues. Accordingly, the paper concludes that there is a real-valued description of non-relativistic quantum mechanics in association with the existence of negative (repelling) energy levels. Schrodinger's classical 2nd-order, complex-valued matter-wave equation which was constructed upon factoring the 4th-order, real-valued differential operator and retaining only one of the two conjugate complex operators is a simpler description of the matter-wave, since it does not involve the derivatives of the potential V(r), at the expense of missing the negative (repelling) energy levels.
Using a variational formulation, we show that Schrödinger's 4th-order, real-valued matter-wave equation which involves the spatial derivatives of the potential V ( r ) , produces the precise eigenvalues of Schrödinger's 2nd-order, complex-valued matter-wave equation together with an equal number of negative, mirror eigenvalues. The variational forms of the matter-wave equations are computed numerically with a Ritz-spline method and we show how this method handles accurately discontinuous potentials with singular derivatives. Accordingly, the paper concludes that there is a real-valued description of non-relativistic quantum mechanics in association with the existence of negative, mirror energy levels. Schrödinger's classical 2nd-order, complex-valued matter-wave equation which was constructed upon factoring the 4th-order, real-valued differential operator and retaining only one of the two conjugate complex operators is a simpler description of the matter-wave, since it does not involve the derivatives of the potential V ( r ) , at the expense of missing the negative, mirror energy levels. • Variational formulations are derived for Schrödinger’s 2nd- and 4th-order matter-wave equations. • A novel Ritz spline method is developed to solve numerically for the eigenenergies and corresponding wave functions. • Schrödinger’s 4th-order matter-wave equation is real-valued, but includes spatial derivatives of the potential. • The 4th-order, real-valued formulation produces all eigenvalues of the 2nd-order equation, plus a set of mirror eigenvalues. • A real-valued description of non-relativistic quantum mechanics exists, based on Schrödinger’s 4th-order equation.
In this paper we first show that, there exists a precise mechanical analogue for the one-dimensional version of Schrodinger's original 4th-order, real-valued matter-wave equation. It is a composite, flexural-shear beam supported on distributed elastic springs. Nevertheless, in spite of this finding, this paper shows that it is not possible to construct a physically realizable mechanical analogue for Schrodinger's 2nd-order, complex valued matter-wave equation which yields lower eigenvalues; therefore, lower energy levels than these predicted with his original 4th-order, real-valued matter-wave equation.
The basic equation of quantum mechanics is the Schrödinger equation which expresses the wave function Ψ of a quantum system as an eigenfunction of a quantized Hamiltonian operator H : HΨ = λΨ where the (real) eigenvalue λ is the quantum energy of the system in the state Ψ see equations (1.3.2), (1.3.4). Embodied already in this equation is the basic quantum mechanical principle that quantum energies cannot take on arbitrary values but are quantized : they are given by a discrete set of eigenvalues of a suitable second-order differential operator. This mathematical phenomenon of the discreteness of eigenvalues explains, for example, the observed discreteness of absorption and emission atomic spectral lines; compare remarks in Sections 1.2 and 1.3 of Chapter 1. The Schrödinger theory, and the equivalent theory of Heisenberg, Born and Jordan, represents a distinct advancement of the Bohr theory. Some early basic papers on quantum mechanics are compiled in the book [82], which includes a historic introduction by B. van der Waerden. Also see [6, 8, 9, 24, 75, 76]. These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.
The Schrödinger equation can be rewritten as a second-order equation for a single real-valued scalar field. Taken at face value, however, this one-field reduction obscures several local structures of quantum mechanics: the Born density and current, the role of momentum as a generator, and the usual derivation of the uncertainty relation. We argue that these difficulties do not show that real variables fail. They show that the reduced equation is not, by itself, a complete local representation of the theory. Its coherent real form is obtained by restoring the underlying Hamiltonian phase-space structure, where the missing component reappears as a canonical partner. In this real phase-space formulation, the standard structures reappear locally, and minimal magnetic coupling reveals an internal SO(2)SO(2)SO(2) gauge structure. Thus, the symbol iii can be removed, but the symplectic and complex structure it encodes cannot.
The postulates of quantum mechanics associate the time-evolution of a system with its time-dependent Schrödinger equation. We start by examining different solutions to this equation for a particle, represented in terms of a Gaussian wave packet, in different scenarios: free, scattered from a potential energy barrier, or trapped in a potential energy well. In some cases, we encounter stationary solutions, in which the probability density does not change in time (a standing wave). These solutions are identified as eigenfunctions of a system Hamiltonian. The properties of the Hamiltonian as a Hermitian operator are introduced, and particularly, the fact that its proper eigenfunctions can compose an orthonormal set, and that the corresponding eigenvalues are real-valued. Learning that all operators that relate to measurables are Hermitian, and that their eigenvalues relate to the measured values, we conclude that the eigenvalues of the energy operator (Hamiltonian) are the energy levels of the quantum system.