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Journal of Physics A Mathematical and General

Current density and electric and magnetic multipole-moment operators in quantum mechanics

T. F. Meister, B. U. Felderhof

Published Jan 1, 1980• 3 citations
Publisher

Abstract

The authors define the quantum-mechanical current density operator for general Hamiltonian operators and hence define electric and magnetic multipole-moment operators in close correspondence with the classical case. General Hamiltonian operators are transformed to multipole form by canonical transformation. As examples we treat the charge exchange interaction and relativistic corrections to the magnetic moment of an electron moving in a central potential.

DOI
10.1088/0305-4470/13/1/014

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•Aug 29, 2025•0 citations
The authors define the quantum-mechanical current density operator for general Hamiltonian operators and hence define electric and magnetic multipole-moment operators in close correspondence with the classical case. General Hamiltonian operators are transformed to multipole form by canonical transformation. As examples we treat the charge exchange interaction and relativistic corrections to the magnetic moment of an electron moving in a central potential.
The Hamiltonian of a system of charged particles interacting with the electromagnetic field is investigated. For an arbitrary system the multipole expansion of the interaction between the system and the field is derived by means of a suitable canonical transformation. The transformed Hamiltonian is obtained from the Hamiltonian of the system by replacing the momenta by the transformed kinetic momenta and by adding to the Hamiltonian a term representing the interaction of the system with the electric component of the field. By expanding this interaction term, as well as the transformed momenta, in powers of the dimension of the system over the wavelength, the multipole expansion of the Hamiltonian is obtained. For a system interacting with a classical field the multipole form of the Hamiltonian is exactly equivalent to the original Hamiltonian. For a quantized field this is not true, and the multipole form of the transformed Hamiltonian is shown to be equivalent to the original Hamiltonian only for first-order radiation processes.
The quantum mechanical position operators, and their products, are not well-defined in systems obeying periodic boundary conditions. Here we extend the work of Resta [Phys. Rev. Lett. 80, 1800 (1998)], who developed a formalism to calculate the electronic polarization as an expectation value of a many-body operator, to include higher multipole moments, e.g., quadrupole and octupole. We define nthn\mathrm{th}nth-order multipole operators whose expectation values can be used to calculate the nthn\mathrm{th}nth multipole moment when all of the lower moments are vanishing (modulo a quantum). We show that changes in our operators are tied to flows of $n\ensuremath{-}1\mathrm{st}$ multipole currents, and encode the adiabatic evolution of the system in the presence of an $n\ensuremath{-}1\mathrm{st}$ gradient of the electric field. Finally, we test our operators on a set of tight-binding models to show that they correctly determine the phase diagrams of topological quadrupole and octupole models, capture an adiabatic quadrupole pump, and distinguish a bulk quadrupole moment from other mechanisms that generate corner charges.
This chapter shows how, for noninteracting particles, the charge and energy current density operators are easily obtained from the continuity equation, with the time derivative of the corresponding density operators given by their commutator with the Hamiltonian in the presence of the external fields. This can be generalized to include spin-orbit scattering from heavy impurities, which gives rise to a spin current. For interacting particles, the commutator is very hard to calculate, and the uniform current operators are derived from the rate of change of the charge and energy polarization operators, which are defined as the first moments of the charge and energy densities, respectively. This is done for continuous models, as well as for the Hubbard, periodic Anderson, and Falicov-Kimball lattice models.
The chapter covers some of the essential aspects of relativistic quantum mechanics. The Klein-Gordon equation and its solution in coulombic fields, how to interpret probability density and probability current derived from the Klein-Gordon equation, derivation of the Dirac equation and its covariant form, probability density and probability current for Dirac equation, positive and negative energy eigenvalues in the case of a free particle, constants of motion for relativistic treatment, presence of spin magnetic moment and spin-orbit interaction energy in the Dirac equation, and the solution of the Dirac equation for central potentials and for the hydrogen atom are presented with elegant mathematical treatment and physical interpretations. A modern and reader friendly approach is adopted for derivation of the Dirac equation, constants of motion, and for the solution of the Dirac equation for central potentials. Solved examples and unsolved exercises relating to fundamental concepts of relativistic quantum mechanics are added towards the end of chapter.
Physical processes are usually described using four-dimensional vector quantities - coordinate vector, momentum vector, current vector. But at the fundamental level they are characterized by coordinate and momentum spinors. The propagation of fields and their interaction takes place at the spinor level, and since each spinor uniquely corresponds to a certain vector, the results of physical processes appear before us in vector form. For example, the relativistic Schrödinger equation and the Dirac equation are formulated by means of coordinate vectors, momentum vectors and quantum operators corresponding to them. In the Dirac equation the wave function is a spinor with complex components, but still coordinates and momentum are vectors. For a closed description of nature using only spinor quantities, it is necessary to have an equation similar to the Dirac equation in which momentum, coordinates and operators are spinors. It is such an equation that is presented in this paper. Using the example of the interaction between an electron and an electromagnetic field, we can see that the spinor equation contains more detailed information about the interaction than the vector equations. This is not new for quantum mechanics, since it describes interactions using complex wave functions, which cannot be observed directly, and only when measured goes to probabilities in the form of squares of the moduli of the wave functions. In the same way spinor quantities are not observable, but they completely determine observable vectors. In Section 2 of the paper, we analyze the quadratic form for an arbitrary four-component complex vector based on Pauli matrices. The form is invariant with respect to Lorentz transformations including any rotations and boosts. The invariance of the form allows us to construct on its basis an equation for a free particle combining the properties of the relativistic wave equation and the Dirac equation. For an electron in the presence of an electromagnetic potential it is shown that taking into account the commutation relations between the momentum and coordinate components allows us to obtain from this equation the known results describing the interactions of the electron spin with the electric and magnetic field. In the presence of a potential the momentum components cease to commute with each other. To neutralize this effect, the Schrödinger equation is supplemented by several equations with mixed partial derivatives on coordinates. In section 3 of the paper this quadratic form is expressed through momentum spinors, which makes it possible to obtain an equation for the spinor wave function in spinor coordinate space by replacing the momentum spinor components by partial derivative operators on the corresponding coordinate spinor component. Section 4 presents a modification of the theory of the path integral, which consists in considering the path integral in the spinor coordinate space. The Lagrangian densities for the scalar field and for the electron field, along with their corresponding propagators, are presented. An equation of motion for the electron is proposed that is relativistically invariant. This novel equation permitted the construction of an actually invariant procedure for the second quantization of the fermion field in spinor coordinate space. Furthermore, it is demonstrated that the field operators are a combination of plane waves in spinor or vector space, with the coefficients of which being pseudospinors or pseudovectors. Each of these pseudovectors or pseudospinors corresponds to one of the particles presented in the theory of electrodynamics. Furthermore, each plane wave possesses an additional coefficient in the form of a creation or annihilation operator. In vector space, these operators commute, whereas in spinor space they anticommutate. The paper presents the spinor and vector representations of the field operators in explicit form, comprising sets of 16 pseudospinors or 4 pseudovectors corresponding to particles represented in electrodynamics. An explicit form of the symmetric traceless tensor with spin two, zero mass and two polarizations is presented, which can serve as a model of the graviton. The results obtained may prompt changes in some aspects of the construction of Feynman diagrams. Among other things, it presents a purely mathematical derivation of Maxwell's inhomogeneous equations without reference to empirical data on the action of electric current, which is usually referred to when deriving equations. Section 4 presents Einstein's inhomogeneous equation, which features the Riemann tensor rather than the Ricci tensor, with the energy-momentum tensor of a charged particle having four indices rather than two. In the case where a particle of matter has a charge, another Riemann tensor is added to Einstein’s equation, in addition to the usual Riemann curvature tensor, which describes the additional curvature created for a charged particle by an electromagnetic field.