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Journal of Modern Physics

Quasi-Relativistic Description of Hydrogen-Like Atoms

Luis Grave de Peralta

Published Jan 1, 2020• 13 citations
Publisher

Abstract

Using a novel wave equation, which is Galileo invariant but can give precise results up to energies as high as mc2, exact quasi-relativistic quantum mechanical solutions are found for the Hydrogen atom. It is shown that the exact solutions of the Grave de Peralta equation include the relativistic correction to the non-relativistic kinetic energies calculated using the Schrödinger equation.

DOI
10.4236/jmp.2020.116051

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Journal of Modern Physics•Jan 1, 2021•7 citations
Using a novel wave equation, which is Galileo invariant but can give precise results up to energies as high as mc2, exact quasi-relativistic quantum mechanical solutions are found for the Hydrogen atom. It is shown that the exact solutions of the Grave de Peralta equation include the relativistic correction to the non-relativistic kinetic energies calculated using the Schrödinger equation.
Abstract Wave mechanics triumphed when Schrödinger published his now famous equation and showed how to describe hydrogen-like atoms using it. However, while looking for the right equation, Schrödinger first explored, but did not publish, the equation that we today call the Klein–Gordon equation. An alternative possible choice is explored in this work. It is shown a quasi-relativistic wave equation which solutions match the Schrödinger’s results at electron energies much smaller than the energy associated to the electron’s mass, but include, at higher energies, the relativity energy’s correction calculated in traditional first order perturbation theory. A discussion is presented about several consequences that would follow from using this quasi-relativistic wave equation as a quantum mechanics foundational equation. It is also suggested the academic use of this equation for introducing the students to the implications of the special theory of relativity in introductory quantum mechanics courses.
Exact solutions of a novel quasi-relativistic quantum mechanical wave equation are found for Hydrogen-like atoms. This includes both, an exact analytical expression for the energies of the bound states, and exact analytical expressions for the wavefunctions, which successfully describe quantum particles with mass and spin-0 up to energies comparable to the energy associated to the mass of the particle. These quasi-relativistic atomic orbitals may be used for improving ab-initio software packages dedicated to numerical simulations in physical-chemistry and atomic and solid-state physics.
A Schrödinger-like equation for a single free quantum particle is presented. It is argued that this equation can be considered a natural relativistic extension of the Schrödinger equation for energies smaller than the energy associated to the particle’s mass. Some basic properties of this equation: Galilean invariance, probability density, and relation to the Klein-Gordon equation are discussed. The scholastic value of the proposed Grave de Peralta equation is illustrated by finding precise quasi-relativistic solutions for the infinite rectangular well and the quantum rotor problems. Consequences of the non-linearity of the proposed equation for the quantum superposition principle are discussed.
Using a novel quasi-relativistic wave equation, which can give precise results up to energies ~mc2, exact quantum mechanical solutions are found which corresponds to a particle with mass moving through one-dimensional piecewise constant potentials. As expected, at low particle’s speeds, the found solutions coincide with the solutions of the same problems calculated using the Schrödinger equation; however, as it should be, both solutions have a significative difference at quasi-relativistic speeds. Then, it is argued that the quasi-relativistic wave equation provides a simpler description than a fully relativistic theory or the perturbation approach for a quantum particle moving at quasi-relativistic energies through piecewise constant potentials.
The quantum mechanical problem of the hydrogen atom is treated by use of a finite difference equation in place of Schrödinger's differential equation. The exact solution leads to a wave vector energy expression that is readily converted to the Bohr-Rydberg formula. (The calculations here reported are limited to spherically symmetric states.) The wave vectors reduce to the familiar solutions of Schrödinger's equation as c --> infinity. The internal consistency and limiting behavior provide support for the view that the equations employed could well constitute an approach to a relativistic formulation of wave mechanics.
An intriguing quasi-relativistic wave equation, which is useful between the range of applications of the Schrödinger and the Klein-Gordon equations, is discussed. This equation allows for a quantum description of a constant number of spin-0 particles moving at quasi-relativistic energies. It is shown how to obtain a Pauli-like version of this equation from the Dirac equation. This Pauli-like quasi-relativistic wave equation allows for a quantum description of a constant number of spin-1/2 particles moving at quasi-relativistic energies and interacting with an external electromagnetic field. In addition, it was found an excellent agreement between the energies of the electron in heavy Hydrogen-like atoms obtained using the Dirac equation, and the energies calculated using a perturbation approach based on the quasi-relativistic wave equation. Finally, it is argued that the notable quasi-relativistic wave equation discussed in this work provides interesting pedagogical opportunities for a fresh approach to the introduction to relativistic effects in introductory quantum mechanics courses.