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Proceedings of the Royal Society A Mathematical Physical and Engineering Sciences

Gauge invariance in non–relativistic electrodynamics

R. Guy Woolley

Published Aug 8, 2000• 47 citations
Publisher

Abstract

A novel Hamiltonian scheme for non–relativistic quantum electrodynamics in which the gauge arbitrariness of the field potential is kept explicit is used to study the gauge–dependence properties of various versions of perturbation theory when resonance and line–broadening effects are admitted. Time–dependent perturbation theory is shown to have severe gauge–dependence problems unless ad hoc modifications are made. A time–independent formulation of S–matrix theory is then studied. Far from resonance, the S–matrix is gauge invariant in all orders of perturbation theory due to a very precise cancellation of gauge–dependent terms which requires, among other things, complete sets of intermediate states; energy conservation also has a crucial role. However, an obvious separation of the S–matrix into a resonant (pole) and non–resonant background leads to incomplete cancellation of the gauge–dependent terms. The introduction of the Heitler damping matrix into an integral equation for the T–matrix leads to a gauge–invariant result. This provides the basis for a gauge invariant S–matrix theory of atoms and molecules interacting with electromagnetic radiation that encompasses resonance and damping effects.

DOI
10.1098/rspa.2000.0587

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A novel Hamiltonian scheme for non–relativistic quantum electrodynamics in which the gauge arbitrariness of the field potential is kept explicit is used to study the gauge–dependence properties of various versions of perturbation theory when resonance and line–broadening effects are admitted. Time–dependent perturbation theory is shown to have severe gauge–dependence problems unless ad hoc modifications are made. A time–independent formulation of S–matrix theory is then studied. Far from resonance, the S–matrix is gauge invariant in all orders of perturbation theory due to a very precise cancellation of gauge–dependent terms which requires, among other things, complete sets of intermediate states; energy conservation also has a crucial role. However, an obvious separation of the S–matrix into a resonant (pole) and non–resonant background leads to incomplete cancellation of the gauge–dependent terms. The introduction of the Heitler damping matrix into an integral equation for the T–matrix leads to a gauge–invariant result. This provides the basis for a gauge invariant S–matrix theory of atoms and molecules interacting with electromagnetic radiation that encompasses resonance and damping effects.
The Hamiltonian for non-relativistic quantum electrodynamics can be expressed in terms of the usual dynamical variables for the field and charged particles and as a functional of a c-number vector field p(x;x') which is essentially arbitrary. This corresponds to the freedom to use the vector potential of he field in an arbitrary gauge since every p(x;x') determines a gauge condition for the potential. We study the S -matrix for two different choices of p(x;x') and calculate the difference. This is done directly in low-orders of perturbation theory and suggests a conjecture for the general formula for the difference, valid in any order of perturbation theory; we verify the validity of this conjecture by elementary means. On the energy shell the S- matrices are identical, i.e. gauge-invariant.
The conventional perturbation theory in quantum mechanics for the interaction of electromagnetic radiation with matter, which is based on the time-dependent vector and scalar potentials, is shown to be dependent on the gauge. The problem is reformulated, using the approach of Yang, in a gauge-invariant way, in which the transitions between states are induced by the quantum-mechanical power operator. In order to use an unperturbed Hamiltonian which does not involve the electromagnetic field, the gauge is chosen to give the electric dipole interaction. This choice can be made if the magnetic field is negligible and the electric field is slowly varying over atomic dimensions. For a comparison of the gauge-invariant and conventional formulation, a two-level atom in a radiation field is considered. For the probability that an atom originally in the lower state will make a transition to the upper state when the field is not in resonance, the gauge-invariant formulation gives the correct result, whereas the gauge-dependent formulation gives an incorrect result.
For quantum mechanics of a charged particle in a classical external electromagnetic field, there is an apparent puzzle that the matrix element of the canonical momentum and Hamiltonian operators is gauge dependent. A resolution to this puzzle was recently provided by us [X.-S. Chen et al., Phys. Rev. Lett. 100, 232002 (2008)]. Based on the separation of the electromagnetic potential into pure-gauge and gauge-invariant parts, we have proposed a new set of momentum and Hamiltonian operators which satisfy both the requirement of gauge invariance and the relevant commutation relations. In this paper we report a check for the case of the hydrogen-atom problem: Starting from the Hamiltonian of the coupled electron, proton, and electromagnetic field, under the infinite proton mass approximation, we derive the gauge-invariant hydrogen-atom Hamiltonian and verify explicitly that this Hamiltonian is different from the Dirac Hamiltonian, which is the time translation generator of the system. The gauge-invariant Hamiltonian is the energy operator, whose eigenvalue is the energy of the hydrogen atom. It is generally time dependent. In this case, one can solve the energy eigenvalue equation at any specific instant of time. It is shown that the energy eigenvalues are gauge independent, and by suitably choosing the phase factor of the time-dependent eigenfunction, one can ensure that the time-dependent eigenfunction satisfies the Dirac equation.
The distinction between gauge independence and gauge covariance in electrodynamics is considered for quantities of physical interest. The gauge independence of directly observable quantities, such as the spectra of operators and energy conserving transition rates, is discussed and contrasted with the gauge covariance of other quantities such as scalar products. The quasigauge-invariance of the classical Lagrangian and the invariance of the Euler-Lagrange equations under the addition of a total time derivative to the Lagrangian are discussed. The consequent inherent nonuniqueness of the Lagrangian and Hamiltonian formulations of classical mechanics is pointed out. A physical interpretation of the explicit gauge dependence of classical canonical momenta and of the expectation values of the corresponding quantum mechanical operators is presented. The gauge independence of energy conserving transition rates calculated in the conventional finite-order time dependent perturbation theory is discussed and illustrated. The gauge dependence of the conventional time dependent transition amplitudes in the presence of electromagnetic fields is then discussed, and gauge independent transition amplitudes are constructed. An alternative formulation of the quantum mechanics of charged particles is obtained in terms of a new gauge independent Hamiltonian, which is, as might be expected, unique only within an arbitrary canonical transformation.
A system of nonrelativistic charged particles and radiation is canonically quantized in the Coulomb gauge and Maxwell's equations in quantum electrodynamics are derived. By requiring form invariance of the Schrodinger equation under a space and time dependent unitary transformation, operator gauge transformations on the quantized electromagnetic potentials and state vectors are introduced. These gauge transformed potentials have the same form as gauge transformations in non-Abelian gauge field theories. A gauge-invariant method for solving the time-dependent Schrodinger equation in quantum electrodynamics is given. Maxwell's equations are written in a form which holds in all gauges and which has formal similarity to the equations of motion of non-Abelian gauge fields. A gauge-invariant derivation of conservation of energy in quantum electrodynamics is given. An operator gauge transformation is made to the multipolar gauge in which the potentials are expressed in terms of the electromagnetic fields. The multipolar Hamiltonian is shown to be the minimally coupled Hamiltonian with the electromagnetic potentials in the multipolar gauge. The model of a charged harmonic oscillator in a single-mode electromagnetic field is considered as an example. The gauge-invariant procedure for solving the time-dependent Schrodinger equation is used to obtain the gauge-invariant probabilities that the oscillator is in an energy eigenstate For comparison, the conventional approach is also used to solve the harmonic oscillator problem and is shown to give gauge-dependent amplitudes.
The Dirac equation for a charged particle in a time-dependent electromagnetic field is reduced to the Pauli equation in the non-relativistic limit by making a time-dependent Foldy-Wouthuysen transformation in a completely gauge-invariant way. In a time-dependent field, the expectation value of the Hamiltonian is dependent on the gauge, and so it cannot be the energy. The energy is obtained by taking the expectation value of the energy operator, the time rate of change of which is the average of the quantum mechanical power operator. The Hamiltonian formulation of a charged particle in a time-dependent external electromagnetic field is satisfactory when this distinction between the Hamiltonian, which describes the time evolution of the system, and the energy operator, which is gauge invariant, is made.