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International Journal of Quantum Chemistry

Introducing the γ function in quantum theory

Péter R. Śurján

Published Apr 8, 2020• 3 citations
Publisher

Abstract

Abstract Through a series of postulates, we define a function γ(x) whose square acts as Dirac's δ(x) and exhibits several unusual properties. Though the square root of δ cannot be defined among distributions, it appears in quantum theory if one wants to associate a wave function to a (quasi)classical particle having charge distribution δ(x). The newly defined function γ(x) serves to describe quasi‐classical particles using part of the quantum formalism (eg, wave functions, operators, expectation values) but exhibiting classical properties. The function γ(x) appears to be useful to define model wave functions for simple (quasi)quantum systems. In a spherical coordinate system, γ(r − r0) leads to a quasi‐classical “bubble” model of the hydrogen atom, where the electron is distributed on the surface of a sphere with radius r0, and it provides exact quantum mechanical energies of its total symmetric levels. For other simple quantum systems, it provides approximate but meaningful energies. In particular, exact energy differences for harmonic oscillator levels are obtained, with the zero‐point energy missing.

DOI
10.1002/qua.26221

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Abstract Through a series of postulates, we define a function γ(x) whose square acts as Dirac's δ(x) and exhibits several unusual properties. Though the square root of δ cannot be defined among distributions, it appears in quantum theory if one wants to associate a wave function to a (quasi)classical particle having charge distribution δ(x). The newly defined function γ(x) serves to describe quasi‐classical particles using part of the quantum formalism (eg, wave functions, operators, expectation values) but exhibiting classical properties. The function γ(x) appears to be useful to define model wave functions for simple (quasi)quantum systems. In a spherical coordinate system, γ(r − r0) leads to a quasi‐classical “bubble” model of the hydrogen atom, where the electron is distributed on the surface of a sphere with radius r0, and it provides exact quantum mechanical energies of its total symmetric levels. For other simple quantum systems, it provides approximate but meaningful energies. In particular, exact energy differences for harmonic oscillator levels are obtained, with the zero‐point energy missing.
The goal of Quantum Mechanics I, A Problem Text, is to enable students to solve problems appropriate to their first course in quantum mechanics. Significantly detailed solutions to traditionally posed problems dominate. Theory and rationale are addressed in prescript and postscript narratives and/or within the solved problems to guide students; and clarify vocabulary, symbology, and terminology. Applications of the postulates are presented initially using arguments from linear algebra appropriate to discrete systems with low-dimensional vectors and matrix operators, introducing orthogonality, orthonormality, Hermiticity, eigenvectors, eigenvalues, probability, expectation value, and degeneracy. These arguments blend into infinite-dimensional vectors and operators, and calculus-based arguments for continuous systems where delta functions, theta functions, and Fourier transforms are initially discussed. Dirac notation is fully developed within these first five chapters. Chapter six discusses Ehrenfest’s theorem, the Heisenberg uncertainty relations, and Gaussian wave functions and wave packets. Increasingly sophisticated potential energy functions are then treated to include the free particle, the infinite square well, the one-dimensional scattering state, the simple harmonic oscillator, the finite square well, orbital angular momentum, and the hydrogen atom. Ladder operators are featured in the developments of the simple harmonic oscillator and orbital angular momentum. The diversity of narratives and detailed solutions intend
The goal of Quantum Mechanics I, A Problem Text, is to enable students to solve problems appropriate to their first course in quantum mechanics. Significantly detailed solutions to traditionally posed problems dominate. Theory and rationale are addressed in prescript and postscript narratives and/or within the solved problems to guide students; and clarify vocabulary, symbology, and terminology. Applications of the postulates are presented initially using arguments from linear algebra appropriate to discrete systems with low-dimensional vectors and matrix operators, introducing orthogonality, orthonormality, Hermiticity, eigenvectors, eigenvalues, probability, expectation value, and degeneracy. These arguments blend into infinite-dimensional vectors and operators, and calculus-based arguments for continuous systems where delta functions, theta functions, and Fourier transforms are initially discussed. Dirac notation is fully developed within these first five chapters. Chapter six discusses Ehrenfest’s theorem, the Heisenberg uncertainty relations, and Gaussian wave functions and wave packets. Increasingly sophisticated potential energy functions are then treated to include the free particle, the infinite square well, the one-dimensional scattering state, the simple harmonic oscillator, the finite square well, orbital angular momentum, and the hydrogen atom. Ladder operators are featured in the developments of the simple harmonic oscillator and orbital angular momentum. The diversity of narratives and detailed solutions intend
In the framework of distributionally generalized quantum theory, the object HψHψHψ is defined as a distribution. The mathematical significance is a mild generalization for the theory of para- and pseudo-differential operators (as well as a generalization of the weak eigenvalue problem), where the ψψψ-do symbol (which is not a proper linear operator in this generalized case) can have its coefficient functions take on singular distributional values. Here, a distribution is said to be singular if it is not Lp(Rd)^p(\mathbb{R}^d)p(Rd) for any p≥1p\geq 1p≥1. Physically, the significance is a mathematically rigorous method, which does not rely upon renormalization or regularization of any kind, while producing bound state energy results in agreement with the literature. In addition, another benefit is that the method does not rely upon self-adjoint extensions of the Laplace operator. This is important when the theory is applied to non-Schrodinger systems, as is the case for the Dirac equation and a necessary property of any finite rigorous version of quantum field theory. The distributional interpretation resolves the need to evaluate a wave function at a point where it fails to be defined. For d=2d=2d=2, this occurs as Ko(a∣x∣)δ(x)K_o(a|x|)δ(x)Ko​(a∣x∣)δ(x), where KoK_oKo​ is the zeroth order MacDonald function. Finally, there is also the identification of a missing anomalous length scale, owing to the scale invariance of the formal symbol(ic) Hamiltonian, as well as the common identity for the logarithmic function, with a, b∈R+a,\,b\in\mathbb{R}^+a,b∈R+, log⁡(ab)=log⁡(a)+log⁡(b)\log(ab)=\log(a)+\log(b)log(ab)=log(a)+log(b), which loses unitlessness in its arguments. Consequently, the energy or point spectrum is generalized as a family (set indexed by the continuum) of would-be spectral values, called the C-spectrum.
A simple procedure has been found for the general solution of the time-independent Schrödinger Equation (SE) with the help of quantization of potential area in one dimension without making any approximation.Energy values are not dependent on wave functions. So, to find the energy values, it is enough to find the classic turning points of the potential function. Two different solutions were obtained, namely, symmetric and anti symmetric in bound states. These normalized wave functions are always periodic. It is enough to take the integral of the square root of the potential energy function to find the normalized wave functions. If these calculations cannot be made analytically, they should then be performed by numerical methods. The SE has been solved for a particle in many one-dimension and the spherical symmetric central potential well, the relativistic theory of Dirac as examples.
Chapter 4 shows that, just as Heisenberg’s matrix mechanics represented a break with classical physics and the beginning of a new physics, Schrödinger’s wave mechanics represented another, no less radical, break with classical physics and at the same time opened up another path to the quantum world. Schrödinger’s theory is shown to make substantial use of de Broglie’s waves and related phenomena. The Schrödinger equation, being wave-like, constitutes mathematically an eigenvalue problem for bounded systems, and thus naturally leads to quantization, as is illustrated with a couple of simple examples. The chapter ends with Dirac’s abstract formulation, which has the advantage of being suitable for any description, be it Heisenberg’s, Schrödinger’s or any other.