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Physical Review A

Simplified solutions of the Dirac-Coulomb equation

Jeng-Yih Su

Published Dec 1, 1985• 26 citations
Publisher

Abstract

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.

DOI
10.1103/physreva.32.3251

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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.
It is shown the central field Dirac equation can be simplified through the use of real conjugate spinors to substitute for the upper and lower components of the bi-spinor eigensolutions. This substitution reduces the Dirac equation for the hydrogen atom to the problem of solving a single second order differential equation similar to a Klein-Gordon equation but containing additional terms to take account of the spin on the electron. The bi-spinor wave functions are readily constructed once the solution is known in terms of the conjugate spinors.
Abstract: \n The possibility of transformation of the Dirac equation for central field standard form to the one, analogic to Scroedinger equation for each of radial parts components of wave function is considered. On this basis the conclusion about possibility of applicability of semiclassical approximation to the Dirac equation is obtained, its WKB solutions are calculated. The methods of solutions approximation in the neighborhood of turn points is analyzed, the validity of phase method [3] adaptability to receipt of semiclassical energy levels from Bohr-Sommerfeld condition is demonstrated.
We show that additional solutions must be ignored (in differences of the Schrödinger and Klein–Gordon equations) in the Dirac equation, where usually the second-order radial equation is passed, called the reduced equation, instead of a system. Analogously to the Schrödinger equation, in this process, the Dirac’s delta function appears, which was unnoted during the full history of quantum mechanics. This unphysical term we remove by a boundary condition at the origin. However, the distribution theory imposes on the radial function strong restriction and by this reason practically for all potentials, even regular, use of these reduced equations is not permissible. At the end, we include consideration in the framework of two-dimensional Dirac equation. We show that even here the additional solution does not survive as a result of usual physical requirements.
An exact path-integral solution of the Dirac equation with a Coulomb potential is found. The energy-dependent Green's function of the second-order Dirac-Coulomb equation, expressed as a polar-coordinate path integral, is reduced to the exactly solvable path integral for an isotropic harmonic oscillator by a coordinate transformation combined with a local time rescaling. The Green's function of the linear Dirac equation is evaluated with the help of the Biedenharn transformation. The energy spectrum for the bound states is also obtained.
By using a simple procedure the general solution of the time-independent radial Schrodinger Equation for spherical symmetric potentials was made without making any approximation. The wave functions are always periodic. It appears two diffucilties: one of them is the solution of the equation E= U(r), where E and U(r) are the total an effective potential energies, respectively, and the other is the calculation of the integral of the square root of U(r). If analytical calculations are not possible, one must apply numerical methods. To find the energy wave function of the ground state, there is no need for the calculation of this integral, it is sufficient to find the classical turning points, that is to solve the equation E=U(r).
In 1928, the brilliance of Paul Dirac granted him the insight to develop a particle equation that was fully consistent with both the principles of quantum mechanics and the theory of special relativity. In this bachelor thesis we have studied the fundamentals of relativistic quantum mechanics including the derivation of the Dirac equation in a similar fashion to the way originally done by Paul Dirac. Additionally we have studied the analytical solution for hydrogen-like atoms. Furthermore we have numerically analysed the energy spectrum, radial characteristics and correctional terms using programs written in Python and MATLAB. Finally we have investigated the implications and applications ofthe Dirac Hamiltonian and its use to effectively describe the attributes of gold atoms.We find that relativistic contribution scales approximately by Z2 for large Z. In addition, we conclude that the Dirac Hamiltonian is of vital importance for an accurate description of chemical and physical properties of large atoms. Furthermore, we have completed calculations of the radial solution for the Coulomb potential and also for a free particle.