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Molecular Physics

Separation of Dirac's Hamiltonian by Van Vleck transformation

Flemming Jørgensen

Published Oct 12, 2016• 2 citations

Abstract

The now classic Foldy–Wouthuysen transformation (FWT) was introduced as successive unitary transformations. This fundamental idea has become the standard in later developments such as the Douglas–Kroll transformation (DKT) – but it is not the only possibility. FWT can be seen as a simple special case of the general Van Vleck transformation (VVT) which besides the successive version has another, known as the canonical because of a series of nice mathematical properties discovered gradually over time. The aim of the present paper is to compare the two approaches – which give identical results in the lower orders, but not in the higher. After having recapitalised both, we apply them to Dirac's Hamiltonian for the electron in a constant electromagnetic field, written with so few assumptions about the operators that the mathematical techniques stand out separated from the terminology of relativistic quantum mechanics. FWT for a free particle is dealt with by a recent geometric approach to VVT. The original FWT is continued through the next non-zero orders. DKT is considered with special weight on equivalent formulations of the generalised and the optimised forms introduced by Wolf, Reiher and Hess.

DOI: 10.1080/00268976.2016.1239845

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The now classic Foldy–Wouthuysen transformation (FWT) was introduced as successive unitary transformations. This fundamental idea has become the standard in later developments such as the Douglas–Kroll transformation (DKT) – but it is not the only possibility. FWT can be seen as a simple special case of the general Van Vleck transformation (VVT) which besides the successive version has another, known as the canonical because of a series of nice mathematical properties discovered gradually over time. The aim of the present paper is to compare the two approaches – which give identical results in the lower orders, but not in the higher. After having recapitalised both, we apply them to Dirac's Hamiltonian for the electron in a constant electromagnetic field, written with so few assumptions about the operators that the mathematical techniques stand out separated from the terminology of relativistic quantum mechanics. FWT for a free particle is dealt with by a recent geometric approach to VVT. The original FWT is continued through the next non-zero orders. DKT is considered with special weight on equivalent formulations of the generalised and the optimised forms introduced by Wolf, Reiher and Hess.

We apply Kutzelnigg's method for the Foldy-Wouthuysen (FW) transformation of the Dirac-Pauli Hamiltonian. The exact FW transformations exist and agree with those obtained by Eriksen's method for two special cases. In the weak-field limit of static and homogeneous electromagnetic fields, the long-held speculation is rigorously proven, by mathematical induction on the orders of

1/c

in the power series, that the FW transformed Dirac-Pauli Hamiltonian is in full agreement with the classical counterpart, which is the sum of the orbital Hamiltonian for the Lorentz force equation and the spin Hamiltonian for the Thomas-Bargmann-Michel-Telegdi equation.

The classical dynamics for a charged spin particle is governed by the Lorentz force equation for orbital motion and by the Thomas-Bargmann-Michel-Telegdi (T-BMT) equation for spin precession. In static and homogeneous electromagnetic fields, it has been shown that the Foldy-Wouthuysen (FW) transform of the Dirac-Pauli Hamiltonian, which describes the relativistic quantum theory for a spin-

1/2

particle, is consistent with the classical Hamiltonian (with both the orbital and spin parts) up to the order of

1/{m}^{14}

(

m

is the particle's mass) in the low-energy and weak-field limit. In this paper, we extend this correspondence to the case of inhomogeneous fields. Regardless of the field gradient (e.g. Stern-Gerlach) force, the T-BMT equation is unaltered and thus the classical Hamiltonian remains the same, but subtleties arise and need to be clarified. For the relativistic quantum theory, we apply Eriksen's method to obtain the exact FW transformations for the two special cases, which in conjunction strongly suggest that, in the weak-field limit, the FW transformed Dirac-Pauli Hamiltonian (except for the Darwin term) is in agreement with the classical Hamiltonian in a manner that classical variables correspond to quantum operators via a specific Weyl ordering. Meanwhile, the Darwin term is shown to have no classical correspondence.

The Dirac Hamiltonian for a particle in a nonexplicitly time-dependent field is converted to an even Dirac matrix by means of a single canonical transformation. When the interaction term is an odd Dirac matrix, the transformed Hamiltonian is expressed in a very simple form. An exact transformation is also found for two-particle wave equations of Breit's type. The transformed Hamiltonian is then a

\mathrm{uU}

-separating matrix, in Chraplyvy's sense.In the nonrelativistic limit expansions in powers of

\frac{1}{m}

or

\frac{1}{c}

are made. The approximate wave equations are in agreement with previous transformation results.

An examination is made of the consequences for the quantum mechanics of spinning particles of equations characteristic of Lorentz-covariant position variables. These equations are commutator analogs of the Poisson bracket equations that express the familiar transformation properties of space-time events in classical mechanics. For a particle of zero spin it is found that the usual canonical coordinate is the unique solution of these equations. For a particle with positive spin there is no position operator which satisfies these equations and has commuting components. For a particle and antiparticle there is a unique solution with commuting components which is valid for all values of the spin and reduces for zero spin to the canonical coordinate. For spin \textonehalf{} this is the Foldy-Wouthuysen transform of the position operator of the Dirac equation. A generalization of the inverse Foldy-Wouthuysen transformation, valid for any value of the spin, appears as a unique unitary transformation which takes this generalized Dirac position to the canonical coordinate. The application of this transformation to the canonical form of the Hamiltonian gives a generalization of the Dirac equation Hamiltonian. This is developed and compared with the literature for spin 1. It gives a nonlocal equation as the spin 1 analog of the Dirac equation.

A canonical transformation similar to that given by Foldy and Wouthuysen is obtained for the spin zero and one theories. For free particles positive and negative charge states are separately described by one or three component wave functions. It is found that the resulting forms for operators and the non-relativistic limits are quite similar to that for spin \textonehalf{}. The resulting similarity is found to carry over to still higher spins. Particles moving in magnetic fields are described most simply using the transformed representation.