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Physical Review A

Relativistically corrected Schrödinger equation

M. Kissel-Phillip, W. H. Eugen Schwarz

Published Dec 1, 1988• 12 citations
Publisher

Abstract

The relativistically corrected Schr\"odinger (RS) equation [(${m}^{2}$${c}^{4}$+${p}^{2}$${c}^{2}$${)}^{1/2}$ +V-E]\ensuremath{\Psi}=0 is sometimes used to describe charged fermions, which are subject to strong Zitterbewegung. Since, however, equations of this type describe bosons with weak Zitterbewegung effects, it is mandatory to screen the Coulomb potential V in an r range of order h/mc, and also to add a screened spin-orbit potential. Thereby the singularity problems with Coulomb potentials are avoided. While the Pauli Hamiltonian must not be used in variational or eigenvalue equations, the RS Hamiltonian may be. An effective potential for the RS equation is derived, which yields relativistically corrected energies and wave functions for fermion systems with Coulomb potentials. Accurate numerical solutions for an unshielded single-center Coulomb potential are presented.

DOI
10.1103/physreva.38.6027

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The relativistically corrected Schr"odinger (RS) equation [({m}^{2}$${c}^{4}+{p}^{2}$${c}^{2}$${)}^{1/2} +V-E]\ensuremath{\Psi}=0 is sometimes used to describe charged fermions, which are subject to strong Zitterbewegung. Since, however, equations of this type describe bosons with weak Zitterbewegung effects, it is mandatory to screen the Coulomb potential V in an r range of order h/mc, and also to add a screened spin-orbit potential. Thereby the singularity problems with Coulomb potentials are avoided. While the Pauli Hamiltonian must not be used in variational or eigenvalue equations, the RS Hamiltonian may be. An effective potential for the RS equation is derived, which yields relativistically corrected energies and wave functions for fermion systems with Coulomb potentials. Accurate numerical solutions for an unshielded single-center Coulomb potential are presented.
With the use of a simple similarity transformation which brings the radial wave equations of the Dirac-Coulomb problem into a form nearly identical to those of the Schr\"odinger and Klein-Gordon equations, we derive simplified solutions to the Dirac-Coulomb equation for both the bound and continuum states following the familiar standard procedure adopted in the derivation of the conventional solutions. We show that to obtain the desired form of the second-order radial equations we can still work with a first-order partial differential equation rather than with the second-order Dirac equation widely employed in the derivation of the simplified solutions, and thus we can avoid the task of reducing the solutions of the second-order equations to those of the original Dirac equation. The transformed Dirac-Coulomb radial equations are so simple that one can apply the WKB method to them in the same way that one applies the WKB approximation to the Schr\"odinger radial equation, without making the further approximations commonly invoked, and the Sommerfeld-Dirac discrete spectrum follows immediately. For small Z\ensuremath{\alpha}, we also present approximate expressions for both the transformed and the original Dirac-Coulomb wave functions, which are valid for all energies and certainly valid in the quasirelativistic approximation which takes account of relativistic effects. The structure of these approximate expressions also suggests one of the methods to obtain relativistic approximate wave functions from the Pauli-spinor wave function for more general central potentials arising in atoms, molecules, and solids.
We conduct a non-relativistic study of plasma screening effects on hydrogen-like atomic systems using the Screened Coulomb Potential (SCP i.e. Yukawa potential). The radial Schrödinger equation is first reduced to a bi-confluent Heun (BCH) equation for the Killingbeck potential which is the truncated version of the SCP, and we write the exact BCH eigenfunctions and eigenenergies. We then study the limitations of these BCH solutions and obtain an analytic description valid for weak to moderate screening using the BCH functional form. The corrected eigenfunctions are constructed order by order up to O(k^3); they are expressed in terms of the Laguerre polynomials and reduces exactly to Coulomb eigenfunctions when k=0. Using these Functions, the energy spectrum is computed via two analytic methods: (i) direct evaluation of the full Yukawa Hamiltonian expectation value, and (ii) the Hellmann-Feynman theorem, yielding integral representation. All methods presented here provide explicit analytical formulas for both wavefunctions and eigenenergies valid for different ranges of the screening. These methods establish a powerful analytic framework for studying confined quantum systems. The thermodynamic properties are also derived using the BCH formulation.
Chapter 19 introduces relativistic quantum mechanics, with the aim of providing the student with a basic knowledge of the subject and a link to more advanced courses in relativistic quantum theory. It begins by showing that when the Schrödinger equation is modified to make it consistent with special relativity, the result is the Klein–Gordon equation, which gives better qualitative agreement with experiment. Introducing the electron spin into the Schrödinger equation leads to the Pauli equation, which gives rise to important spin effects. By considering both special relativity and spin, one obtains the Dirac and the van der Waerden equations. The main properties and implications of Dirac’s equation are discussed, including the electron’s zitterbewegung. The solution of Dirac’s equation for the free particle is presented in detail, the hydrogen-like atom is shown to be exactly solvable, and the particle in an external electromagnetic field is included as a complementary material.
We re-examine the square of the Hamiltonian, https://www.w3.org/1998/Math/MathML"> Η https://s3-euw1-ap-pe-df-pch-content-public-p.s3.eu-west-1.amazonaws.com/9781003273073/d236e21f-f9f6-4e42-b186-ef1c50f0a68b/content/math16_1.tif" xmlns:xlink=" https://www.w3.org/1999/xlink "/> , in Equation 15.7 and also the Dirac approach in finding the relativistic Hamiltonian. The classical Hamiltonian for the free particle should be the positive square root of Equation 15.7 which is not a linear function of the momenta. Applying this to the problem, say for example in Equation 15.10, we have the resultant wave equation that is asymmetrical with respect to space and time derivatives and so the necessity to linearize the equation in the momentum operators. So for Equation 15.10, it is impossible to include the Pauli spin matrices without destroying the invariance of the theory since the spin matrices transform the components of a three-dimensional rather than a four-dimensional vector. In addition, the function, https://www.w3.org/1998/Math/MathML"> Ψ https://s3-euw1-ap-pe-df-pch-content-public-p.s3.eu-west-1.amazonaws.com/9781003273073/d236e21f-f9f6-4e42-b186-ef1c50f0a68b/content/math16_2.tif" xmlns:xlink=" https://www.w3.org/1999/xlink "/> , has one component rather than two components like spinors and so the Schrödinger relativistic equation represents a particle with no spin. So for a potential to be added in Equation 15.10, the Lorentz-transformation properties of such an addition should be guaranteed by matrix algebra which is the requirement for the Hamiltonian https://www.w3.org/1998/Math/MathML"> Η ^ https://s3-euw1-ap-pe-df-pch-content-public-p.s3.eu-west-1.amazonaws.com/9781003273073/d236e21f-f9f6-4e42-b186-ef1c50f0a68b/content/math16_3.tif" xmlns:xlink=" https://www.w3.org/1999/xlink "/> to be linear in the momentum operators and guarantees relativistic invariance. This matrix algebra which permits the linearization of the Hamiltonian in the momentum operator was introduced by Dirac with the help of the Pauli matrices.
A neo-classical relativistic mechanics theory is presented where the spin of an electron is a natural part of its space-time path as a point particle. The fourth-order equation of motion corresponds to the same Lagrangian function in proper time as in special relativity except for an additional spin energy term. The total motion can be decomposed into a sum of a local spin motion about a point and a global motion of this point, called the spin center. The global motion is sub-luminal and obeys Newton's second law in proper time, the time for a clock fixed at the spin center, while the total motion occurs at the speed of light c, consistent with the eigenvalues of Dirac's velocity operators having magnitude c. The local spin motion corresponds to Schrödinger's zitterbewegung and is a perpetual motion, which for a free electron has a circular path in the spin-center frame. In an electro-magnetic field, this spin motion generates magnetic and electric dipole energies through the Lorentz force on the electron's point charge. The corresponding electric dipole energy is consistent with the spin-orbit coupling term in the corrected Pauli non-relativistic Hamiltonian but the magnetic dipole energy is one half of that in Dirac's theory. By defining a spin tensor as the angular momentum of the electron's total motion about its spin center, the fundamental equations of motion can be re-written in an identical form to those of the Barut-Zanghi electron theory. These equations of motion can then be expressed using operators applied to a state function of proper time satisfying a Dirac-Schrödinger spinor equation. The operators produce dynamic variables without any probability implications. For the free electron, the state function satisfies Dirac's relativistic wave equation when the Lorentz transformation is applied to express proper time in terms of an observer's space-time coordinates.