An Alternative Method of Obtaining Approximate Solutions to the Dirac Equation. I

1975 ◽  
Vol 53 (13) ◽  
pp. 1240-1246 ◽  
Author(s):  
R. A. Moore
Keyword(s):  
Wave Function ◽  
Dirac Equation ◽  
Structure Constant ◽  
Approximate Solutions ◽  
Order Equation ◽  
Wave Functions ◽  
Fine Structure Constant ◽  
First Order ◽  
Alternative Method ◽  
Electric And Magnetic Fields

An alternative method of obtaining approximate solutions to the Dirac equation is presented. The method takes advantage of the fact that the wave functions can be written as an ordered series in powers of the fine structure constant, α, and that the Hamiltonian can be separated into two parts such that one part connects adjacent orders of the wave function. Energy calculations to order α2, requiring only the solution to the lowest order equation, are considered in this article. The procedure is tested by applying it to the hydrogen atom. It is seen that the lowest order equations are similar to and no more difficult to solve than the nonrelativistic equations for all systems of physical interest. The simplicity and accuracy of the method implies that full relativistic calculations are unnecessary for most situations. The inclusion of electric and magnetic fields and the solution to the first order equation will be considered in later articles.

Reply to "A remark on Moore's new method of obtaining approximate solutions of the Dirac equation"

1981 ◽  
Vol 59 (11) ◽  
pp. 1614-1619 ◽  
Author(s):  
R. A. Moore ◽  
Sam Lee
Keyword(s):  
Dirac Equation ◽  
Structure Constant ◽  
Approximate Solutions ◽  
Wave Functions ◽  
Fine Structure Constant ◽  
Energy Calculation ◽  
Calculation Error ◽  
First Order ◽  
The One ◽  
The Individual

This work was written to clarify the use of a recently developed procedure to obtain approximate solutions of the one-particle Dirac equation directly and in response to a recent critique on its application to lowest order. The critique emphasized the fact that when the wave functions are determined only to zero order then a first order energy calculation contains significant errors of the order of α4, α being the fine structure constant, and a matrix element calculation error of order α2. Tomishima re-affirms that higher order solutions are required to obtain accuracy of these orders. In this work the hierarchy of equations occurring in the procedure is extended to first order and it is shown that exact solutions exist for hydrogen-like atoms. It is also shown that the energy in second order contains all of the contributions of order α4. In addition, we illustrate, in detail, that the procedure can be aplied in such a way as to isolate the individual components of the wave functions and energies as power series of α2. This analysis lays the basis for the determination of suitable numerical methods and hence for application to physical systems.

Direct Relativistic Formulation of the Hyperfine Interaction in Simple Atoms. III

1975 ◽  
Vol 53 (13) ◽  
pp. 1251-1255 ◽  
Author(s):  
R. A. Moore
Keyword(s):  
Fine Structure ◽  
Hyperfine Interaction ◽  
Structure Constant ◽  
Approximate Solutions ◽  
Fine Structure Constant ◽  
Spherically Symmetric ◽  
Numerical Work ◽  
First Order ◽  
Time Required ◽  
Nonrelativistic Calculation

We apply a previously developed procedure for obtaining approximate solutions for the Dirac equation for the electron to the formulation of the hyperfine interaction in spherically symmetric atoms. Expressions are obtained to order α2, α being the usual fine structure constant. The hydrogen 1S state is solved and seen to be correct to order α2. This result is taken to be a positive test of the procedure. Further, one sees that the first order equations are solvable, the form of the solutions, and that all the required contributions are finite. Also, in terms of numerical work the time required will not be appreciably greater than needed for a nonrelativistic calculation. This leads to the conclusion that one has a practical and valid method of solving relativistic problems to order α2.

Approximate solutions to the one-particle Dirac equation: numerical results

1986 ◽  
Vol 64 (3) ◽  
pp. 297-302 ◽  
Author(s):  
R. A. Moore ◽  
T. C. Scott
Keyword(s):  
Dirac Equation ◽  
Numerical Solutions ◽  
Structure Constant ◽  
Approximate Solutions ◽  
Fine Structure Constant ◽  
Matrix Elements ◽  
Atomic Systems ◽  
The Matrix ◽  
The One ◽  
Significant Figures

The zero-, first-, and second-order differential equations in a previously defined hierarchy of equations giving approximate solutions to the one-particle Dirac equation and the corresponding eigenvalue contributions are each written as power series in α, the fine structure constant, for an arbitrary, spherically symmetric potential. These equations are solved numerically for the hydrogen-atom potential to obtain wave functions to order α2 and eigenvalues to order α4 for all states with n = 1–4, inclusive. The numerical solutions are then used to evaluate a number of matrix elements to order α2. A comparison with the exact expressions shows that the numerical values for the coefficients of the different powers of α have at least six significant figures in the eigenfunctions and eigenvalues and five in the matrix elements. Thus, the procedure is validated and can be applied with confidence to other atomic systems.

The Wave Theory of the Electron

1928 ◽  
Vol 24 (4) ◽  
pp. 501-505 ◽  
Author(s):  
J. M. Whittaker
Keyword(s):  
Wave Function ◽  
Differential Equations ◽  
Fourth Order ◽  
Commutative Algebra ◽  
Wave Theory ◽  
Wave Functions ◽  
Linear Differential Equations ◽  
Wave Mechanics ◽  
First Order ◽  
Linear Differential

In two recent papers Dirac has shown how the “duplexity” phenomena of the atom can be accounted for without recourse to the hypothesis of the spinning electron. The investigation is carried out by the methods of non-commutative algebra, the wave function ψ being a matrix of the fourth order. An alternative presentation of the theory, using the methods of wave mechanics, has been given by Darwin. The four-rowed matrix ψ is replaced by four wave functions ψ1, ψ2, ψ3, ψ4 satisfying four linear differential equations of the first order. These functions are related to one particular direction, and the work can only be given invariance of form at the expense of much additional complication, the four wave functions being replaced by sixteen.

HIGH FREQUENCY LIMITS OF THE TWO-ELECTRON PHOTOIONIZATION CROSS SECTIONS

2002 ◽  
Vol 09 (02) ◽  
pp. 1161-1166 ◽  
Author(s):  
R. KRIVEC ◽  
M. YA. AMUSIA ◽  
V. B. MANDELZWEIG
Keyword(s):  
Wave Function ◽  
Excited States ◽  
Cross Sections ◽  
High Frequency ◽  
Nuclear Charge ◽  
Principal Quantum Number ◽  
Dipole Approximation ◽  
Wave Functions ◽  
Initial State ◽  
First Order

Several cross sections of two-electron processes at high but nonrelativistic photon energies ω are considered, which are expressed solely via the initial state wave function of the ionized two-electron object. The new high precision and locally correct nonvariational wave functions describing the ground and several lowest excited states of H -, He and helium-like ions are used in calculations of different cross sections in the pure dipole approximation and with account of first order corrections in ω/c2, and a number of the cross sections' ratios. The dependencies of all these quantities on the nuclear charge Z and the principal quantum number n (for 1 < n < 5) of the initial state excitation are studied.

scholarly journals A novel view on successive quantizations, leading to increasingly more “miraculous” states

2019 ◽  
Vol 34 (23) ◽  
pp. 1950186 ◽  
Author(s):  
Matej Pavšič
Keyword(s):  
Field Theory ◽  
Quantum Field Theory ◽  
Wave Function ◽  
Wave Packet ◽  
Time Derivative ◽  
Point Particle ◽  
Order Equation ◽  
Quantum Field ◽  
First Order ◽  
Complex Wave

A series of successive quantizations is considered, starting with the quantization of a non-relativistic or relativistic point particle: (1) quantization of a particle’s position, (2) quantization of wave function, (3) quantization of wave functional. The latter step implies that the wave packet profiles forming the states of quantum field theory are themselves quantized, which gives new physical states that are configurations of configurations. In the procedure of quantization, instead of the Schrödinger first-order equation in time derivative for complex wave function (or functional), the equivalent second-order equation for its real part was used. In such a way, at each level of quantization, the equation a quantum state satisfies is just like that of a harmonic oscillator, and wave function(al) is composed in terms of the pair of its canonically conjugated variables.

Perturbation Methods

2007 ◽  
Author(s):  
Kenneth G. Dyall ◽  
Knut Faegri
Keyword(s):  
Perturbation Theory ◽  
Quantum Mechanics ◽  
Fine Structure ◽  
Dirac Equation ◽  
Perturbation Methods ◽  
Relativistic Quantum ◽  
Structure Constant ◽  
Fine Structure Constant ◽  
Perturbation Expansions ◽  
Relativistic Corrections

Perturbation theory has been one of the most frequently used and most powerful tools of quantum mechanics. The very foundations of relativistic quantum theory—quantum electrodynamics—are perturbative in nature. Many-body perturbation theory has been used for electron correlation treatments since the early days of quantum chemistry, and in more recent times multireference perturbation theories have been developed to provide quantitative or semiquantitative information in very complex systems. In the beginnings of relativistic quantum mechanics, perturbation methods based on an expansion in powers of the fine structure constant, α = 1/c, were used extensively to obtain operators that would provide a connection with nonrelativistic quantum mechanics and permit some evaluation of relativistic corrections, in days well before the advent of the computer. This seems a reasonable approach, considering the small size of the fine structure constant—and for light elements it has been found to work remarkably well. Relativity is a small perturbation for a good portion of the periodic table. Perturbation expansions have their limitations, however, and as well as successes, there have been failures due to the highly singular or unbounded nature of the operators in the perturbation expansions. Therefore, in recent times other perturbation approaches have been developed to provide alternatives to the standard Breit–Pauli approach. This chapter is devoted to the development of perturbation expansions in powers of 1/c from the Dirac equation. In the previous chapter, the Pauli Hamiltonian was developed using the Foldy–Wouthuysen transformation. While this is an elegant method, it is probably simpler to make the derivation from the elimination of the small component with expansion of the denominator, and it is this approach that we use here. Another convenient approach is to make use of the modified Dirac equation in the limit of equality of the large and pseudo-large components. This approach enables us to draw on results from the modified Dirac approach in developing the two-electron terms of the Breit–Pauli Hamiltonian. We then demonstrate how the use of perturbation theory for relativistic corrections requires that multiple perturbation theory be employed for correlation effects and for properties.

Hypervirial theorems and perturbation theory in quantum mechanics

1965 ◽  
Vol 283 (1393) ◽  
pp. 229-237 ◽  
Keyword(s):  
Wave Function ◽  
Perturbation Theory ◽  
Wave Functions ◽  
First Order ◽  
Optimum Energy ◽  
Arbitrary Operator ◽  
Approximate Wave Function ◽  
Hypervirial Theorem ◽  
Variational Wave Functions ◽  
Approximate Wave

Previous ideas about the way in which hypervirial theorems might be used to improve approximate wave functions are discussed. To provide a firmer foundation for these ideas, a link is established between hypervirial theorems and perturbation theory. It is proved that if the first-order perturbation correction to the expectation value of an arbitrary operator vanishes, then the approximate wave function used satisfies a certain hypervirial theorem. Conversely, if an arbitrary hypervirial theorem is satisfied by the wave function, then it is proved that the expectation values of certain operators have vanishing first-order corrections. Some consequences of the theory as applied to variational wave functions with optimum energy are developed. The results are illustrated by the use of a simple approximate wave function for the ground state of the helium atom.

Charged spinor solitons

1986 ◽  
Vol 64 (3) ◽  
pp. 232-238 ◽  
Author(s):  
P. Mathieu ◽  
T. F. Morris
Keyword(s):  
Dirac Equation ◽  
Mass Parameter ◽  
Structure Constant ◽  
Finite Energy ◽  
Stationary Solutions ◽  
Fine Structure Constant ◽  
Many Body ◽  
Nonlinear Dirac Equation ◽  
Frequency Relation ◽  
Static Energy

A nonlinear Dirac equation for which all finite-energy stationary solutions are nontopological solitons with compact support is coupled to the electromagnetic field. In a many-body situation, it is shown that the equilibrium is reached when all the solitons have the same value of the charge. This implies the de Broglie frequency relation and a relation for the fine-structure constant. In specific domains and to a very good approximation, the model reduces to the linear Dirac equation for a particle whose mass parameter is the static energy of the soliton.

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