A NNALES DE L ’I. H. P., SECTION A
R. G. W OOLLEY
On non-relativistic electron theory
Annales de l’I. H. P., section A, tome 23, n
o4 (1975), p. 365-378
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365
On non-relativistic electron theory
R. G. WOOLLEY
Trinity Hall, Cambridge CB2 ITJ, England
Vol. XXIII, n° 4, 1975, Physique théorique.
ABSTRACT. - A discussion of non-relativistic electron
theory,
whichmakes use of the
electromagnetic
fieldpotentials only
as usefulworking
variables in the intermediate
stages,
ispresented.
Theseparation
of the(transverse)
radiation field from thelongitudinal
electric field due to thesources is
automatic,
and as aresult,
this formalism is often more convenient than the usual Coulomb gaugetheory
used in molecularphysics.
RESUME. 2014 L’article
presente
la discussion d’une theorie non-relativiste de 1’electronqui
se sertuniquement
despotentiels electromagnetiques
dans les
etapes
intermediaires du calcul. Comme laseparation
entre Iechamp (transversal)
de la radiation et lechamp longitudinal
du aux sourcesest
automatique,
ce formalisme est mieuxadapte
a laphysique
moleculaire que la theorieclassique
de lajauge
de Coulomb.1. INTRODUCTION
In classical
physics
theequation
of motion for aparticle
of mass m,charge
e,position
coordinateR(t),
and momentumE-(t),
under the influence of aspecified electromagnetic t), B(x, t) ~
isgiven by
Newton’ssecond
law, F
=dp/dt,
with the Lorentz ForceF,
Although
the classicaltheory
canprovide
aguide
to the form of the corres-ponding quantum theory,
the Newtonian formalism is not very convenient and it iscustomary
to reformulate the classicaldynamical theory
in alagran- gian (or hamiltonian)
form beforepassing
to thequantum theory.
In theAnnales de l’lnstitut Henri Poincaré - Section A - Vol. XXIII, n° 4 - 1975.
366 R. G. WOOLLEY
lagrangian
method werequire
aquantity
L which is such that the Euler-Lagrange equation
is
equivalent
toequation (1).
In the evaluation ofequation (2),
whichserves to define the
operator 2,
it is assumed that the fields aregiven
func .tions of the
particle
variables. If one wishes tostudy
the behaviour of thefield as
well,
one has to add to L alagrangian
for thefield,
and then show that the combination of the twoparts
leads to the Maxwellequations
when the fields are varied and the
particle
variables are held cons-tant.
Although
the usual discussion of thisproblem employs
certainauxiliary quantities (the
fieldpotentials)
instead of thephysically important
fieldstrengths,
it is alsopossible
todevelop
a hamiltonian scheme of non-rela- tivisticelectrodynamics
which uses the canonicalparticle variables { R, ~ }
and the electric and
magnetic
fieldvariables { E(x, t), B(x, t) ~.
This resultis achieved at the expense of the introduction of certain
(arbitrary) spatial
curves which occur in
path integrals involving
theelectromagnetic
fieldvariables. The field
potentials
are usedsimply
as convenientworking
variables in the intermediate
steps.
Aspecial
case of this alternative formalismwas discussed
by
Atkins andWoolley
who showed how one coulddevelop
a hamiltonian
description
of the interaction of neutral molecularsystems
with radiation in terms of the molecularmultipole
moments and the electro-magnetic
field variables[1].
Lessgeneral
formulations of the same kind have also beengiven recently by
Hansen[2]
andby
Stenholm and Savo- lainen[3], [4].
The molecularmultipoles
are introduced via themicroscopic
electric and
magnetic polarization fields, P(x, t)
andM(x, t) respectively,
which
replace
the usualcharge
and current densities in the interactionenergies.
Thesepolarization
fields havepreviously
been used extensi-vely
in discussions of the statistical mechanics of the Maxwell equa- tions[5]-[7].
In this paper we shall show that the
polarization
field formalism may still be achieved even when the use of amultipole expansion
is notappropriate
and
thereby place
it on a betterfoundation;
toemphasize
thispoint
weshall confine our attention
initially
to theelectrodynamics
of asingle charged particle.
Themultipolar representation
which is useful in molecularphysics
may be recovered if
required by making
aTaylor
seriesexpansion
of thepath integrals
referred to above. It should be noted thatalthough
the fieldpotentials
aredispensed with,
there is nodifficulty
indescribing
the inter-ference
phenomenon
discussedby
Bohm and Aharonov[8], [9] ;
this isbecause the use of
path integrals
introduces into thetheory precisely
thekind of
non-locality
that isrequired
to describe their effect.Annales de l’lnstitut Henri Poincaré - Section A
2. THE LAGRANGIAN
AND THE EULER-LAGRANGE
EQUATIONS
We propose to
study
in this section alagrangian
for a non-relativisticcharged particle interacting
with theelectromagnetic
field which may be written in the form(in
S. I.units)
where the
particle-field coupling
terms areexpressed
in terms of the electro-magnetic
fieldvariables,
and the electric andmagnetic polarization fields,
P(x, t)
andM(x, t) respectively.
Thesepolarization
densities are relatedto the usual
charge
and current densitiesby
theequations,
from which one infers at once that
equivalent
fieldsP’(x, t)
andM’(~, t)
defined
by,
where
C(x, t)
is anarbitrary,
differentiable vectorfield,
alsosatisfy
equa- tion(4).
Thusequation (3)
whichreplaces
the usualexpression involving
the
arbitrary potentials,
has transferred the arbitrariness toquantities depending
on theparticle variables R
andR.
In order to recover the Maxwell
equations
from(3) using
thePrinciple
of Least Action it is necessary to introduce the field
potentials t)
and
A(x, t)
as thelagrangian
variables(*) through
theimplicit
definitions(*) This is because the Least Action formulation requires that the equations of motion be (at least) second order differential equations in the lagrangian variables; this is true of the Maxwell equations expressed in terms
of ø
and A but not when expressed in termsof E and B. Since the starting equations of motion and the final hamiltonian are inde- pendent
of §
and A one might expect there to be a method of passing directly from one to the other withoutintroducing §
and A.Vol. XXIII, no 4- 1975.
368 R. G. WOOLLEY
It is then a
straightforward
matter toverify
that one obtains theequations
of motion in the
form,
which with the aid of
(4)
are seen to be the Maxwellequations.
If we are to obtain an
equation
of motion for thecharge however,
we shall have to construct anexplicit
form for thepolarization
fieldsP(x, t)
and
M(x, t).
This may be done as follows : for anyposition, R(t),
of theparticle
at agiven
instant intime t,
we choose acurve, _z,
with anarbitrary starting point, r,
to be discussedlater,
andending
at thepoint R.
Thepaths
to be
specified
arepurely
curves in space and have no time sequence attachedto
them ;
in order to obtain theequation
of motion from the usual actionprinciple
one thus has toprescribe
first theposition
of theparticle
as afunction of
time,
and inaddition,
for eachpoint
aseparate
curvez.
These latter curves must not therefore be confused with the actualpath
of theparticle during
its motion. We shall suppose that thepolarization
fieldsmay be written in the
form,
where the
integrals
are to be taken over the curves z described above.We shall leave until later the discussion of what restrictions
(if any) on r
arenecessary for
equations (4)
and(8)
to be consistent. We may now obtain thatpart
of thelagrangian
whichdepends
on theparticle
variablesby combining equations (3)
and(8),
in terms of the Lorentz force defined in
equation (1).
Thus the «potential
energy »
component, V,
of thelagrangian
for acharged particle moving
in an
electromagnetic
field may be written as a lineintegral
over the Lorentzforce,
thepath being
taken from some referencepoint r to
theparticle
coordinate R.
Annales de l’Institut Henri Poincaré - Section A
The determination of the
equation
of motion for theparticle
is facilitatedby
the introduction of a summation convention for thecomponents
ofvectors and tensors. Furthermore we shall make use of the
antisymmetric
unit tensor 8’mn which has the
property
ofvanishing
if any two of its sub-scripts
areequal,
and alternates in value(:f: 1)
as itssubscripts
arepermuted.
We shall also need the relation
[10],
Since
~[T] = 2014 mR,
we wish to show thatwith F given by equation (1).
Tobegin
with we shallonly require
that thefields
E(x, t)
andB(x, t)
be differentiable. The total time derivative in ~ is to beinterpreted
as,of which a
special
case issince the time variation of the
path
is duesolely
to theimplicit
timedepen-
dence of the
endpoint R(t)
because of the assumedspatial
character of thecurve z.
The differentiation withrespect
toR
will be carried out underthe
integral sign
and therefore we shall useEquations ( 14)
and( 15)
may besimplified
as follows : we introduce a para- metric form for thepath z = z(s)
with min s = s1giving z=r,
and maxgiving z
=R ;
other values of sgive points
on the rest of the curve. Butsince z is
only
definedby
the set of values of s there is nomeaning
to beassociated with any variation of z
(or r,
orR)
that does notkeep
it on thecurve. It is clear therefore that the
only acceptable
variations in thepath
lead to the result
for
example,
it is evident that if we startat z
=R,
theonly dz
ordR
thatwe are allowed to introduce must be such that dz and
dR
lie in the samedirection
(the tangent
direction to the curve at thispoint)
and thusdR
there. The function
f (s)
need not bespecified
in any more detailexcept
Vol. XXIII, nO 4 - 1975.
370 R. G. WOOLLEY
that we shall suppose it to have a continuous first derivative in the
subsequent analysis.
Thus if we
apply
to thepath integral V,
we obtain the
following derivatives;
The terms in
equations (18)
and(19) obviously
divide into two distincttypes;
those linear in thevelocity R,
and theremainder,
and so we consider these two groupsseparately.
The contributions to which are linearin R
may be combinedtogether
togive
after
carrying
outthe OR operation.
The first two terms in(20)
may be writtenas a
perfect
derivativeso that with the aid of the
boundary
valuesof f (s)
inequation ( 16),
we may reduceequation (20)
to the formwhere we have written dz for
The
remaining
contributions to!f[V]
areAnnales de l’lnstitut Henri Poincaré - Section A
using equation (11)
we may write the second term inequation (22)
asso that
equation (22)
may bere written as,The first two terms now collect
together
into aperfect
derivative and there- fore(23) simplifies
toThus
collecting equations (21)
and(24) together
we obtain2[V]
as,which
only
reduces toequation (12) if the integral
term vanishesidentically irrespective
of the choice ofpath.
Therefore in order to recover the Lorentz Force law for theequation
of motion we must constrain the fieldsE(x, t)
and
B(x, t)
tosatisfy
which are two of the Maxwell
equations (7) (*).
In order to
complete
theproof
that thelagrangian
inequation (3)
is asuitable
expression
for thedescription
of theelectrodynamics
ofcharged particles,
we must show thatequations (4)
and(8)
are consistent. The total time derivative ofP(x)
iseasily
obtainedusing (1 3)
with thepartial
deriva-tive
omitted,
and after anintegration by parts
this becomes(*) Note that in covariant notation these two equations combine together into the single equation,
where/is the electromagnetic field tensor.
Vol. XXIII, n° 4 - 1975.
372 R. G. WOOLLEY
provided
that themagnetization
is defined as in(8)
thisequation
is identicalto the current
equation (4).
Thedivergence
of the electricpolarization
fieldis
The additional term
r) corresponds
to an «image» charge
fixedat the
arbitrary point ~;
since it is static it does notcouple
with the radiationfield and so may be
neglected
in radiationproblems (this
is clear since it makes no appearance in the currentequation (27)).
To eliminate this termentirely
one could forexample choose r
=spatial infinity,
whichalthough
a natural choice for a
single charge
is aprocedure
that isquite analogous
to
imposing
a gauge condition on the fieldpotentials.
We note howeverthat if we have a collection of
charged particles
that is overallelectrically
neutral =
0 ,
thecorresponding
term derived fromequation (28),
viz e
;6(x - r)
vanishes because of the electricalneutrality.
In this situationi
which is the usual one in molecular
physics,
the choice of r is of no conse-quence and no restrictions need be
imposed.
3. THE HAMILTONIAN
In order to obtain a hamiltonian
description
we use the momentaconju- gate
to thedynamical
« coordinates »R, ~(x, t)
andA(x, t),
inplace
of thelagrangian
« velocities ». Onintroducing
the fieldpotentials
into thelagran- gian (3),
one finds that the momentumdensity xo(x) conjugate
to~(~)
vanishes
formally.
We have therefore adegenerate lagrangian system
and mayexpect
to find invariant relationsamongst
thedynamical
variables. As before we shall follow Dirac’s discussion of thistype
ofproblem [1], [11], [12].
For a finite dimensional
system
the momentumconjugate
to the coordinate R is defined in the normal way to be(aL jaR_);
for an infinite dimensional field the momentum densities are thecoefficients
of5R(~)
in the variation of thelagrangian
withrespect
to thevelocities,
=~R(x).
From thelagrangian (3)
we thusobtain,
Annales de l’Institut Henri Poincaré - Section A
where,
we have
employed
Dirac’s « weak oequality sign
~, because one of thecanonical variables vanishes
[11], [12].
In terms of theremaining
canonicalvariables the hamiltonian may be written as
and the associated Poisson-brackets are assumed to be
canonical,
In order to achieve a consistent scheme we must ensure that
equation (31)
is true for all
times,
and this may be shown toimply
the further conditionwhich is the invariant relation that characterizes this formalism. The remain- der of the
argument
followsexactly
thatgiven
in ref.[1] ;
in order to makeequation (36)
a «strong » (i.
e.ordinary) equality
we introduce asupple- mentary
condition on the vectorpotential,
forexample,
the Coulomb gauge condition Div~(.~) ~ 0,
andmodify
the definition of the Poisson- bracketsaccording
to Dirac’s rule[11], [12].
The final result of these mani-pulations
is thefollowing
hamiltonian scheme in which the redundant variables~(x)
and~o(J~c)
nolonger
appear;where
6,£(x)
is the transverse delta function definedby
Power[13].
Vol. XXIII, nO 4 - 1975.
374 R. G. WOOLLEY
A
simple
calculation shows that the Poisson-bracket of the momen-tum and the
magnetic
inductionB(x)
isand therefore we may
identify
the momentumtry)
with the electric fieldstrength
to within a constant factor.Note that the Coulomb gauge condition is not essential to the
argument leading
toequations (37)-(41)
in as much that any condition 0 for which the Poisson-bracket[~[A(~)], ~_’ . ~(~)]
is non-zero can be used here. However whereas anexplicit
gauge condition is anintegral part
of the usual hamiltonian scheme it is not difficult to see that here it isactually
redundant. Since the vector
potential only
occurs in the hamiltonianthrough
its Curl
(the magnetic induction),
the gauge condition(39)
and the asso-ciated Poisson-bracket
(41)
may bedropped,
and instead we may write the hamiltonianpurely
in terms of the canonicalvariables { R, ~ }
and theelectromagnetic
fieldvariables { E(x), B(x) ~,
together
with thefollowing Poisson-brackets,
The formal
quantization
of this canonicalsystem
is immediate and leadsto a
quantum theory
in theHeisenberg representation.
It may be remarked that in the usual
theory
of theelectrodynamics
of acharged particle
one obtains an invariant relation which contains both field andparticle
variables[14], [15]
As a result the Poisson-brackets of the
particle
momentum and the vectorpotential
with the field momentum,x(x),
are gaugedependent.
Under agauge transformation however these
dynamical
variables and their Pojsson- bracketschange
in such a way that the kinetic momentumis a
gauge-invariant quantity.
This behaviour is to be contrasted with thesimplicity
of thepresent
formulation.When more than one
charge
isconsidered,
the hamiltonian scheme(44)-(46)
may begeneralized
withoutdifliculty.
Itsuflices
togive
Annales de l’Institut Henri Poincaré - Section A
the
particle
variables anappropriate
index and to introduce a summationover all
particles ;
if onewishes,
differentarbitrary origins !0152
can be asso-ciated with subsets of the
particles,
so that one canbring
into the formalism the notion of well defined atomicsystems through
the individual atomicpolarization fields,
It is understood here that a curve z; is to be defined for each
particle
i.The
relationship
between the termP(x)
in the hamiltonian and the instantaneous Coulomb interactionenergies,
in the many
particle
case has been discussed elsewhere[15].
It is mostimportant
that the Coulombenergies
are found in the contribution from thelongitudinal part
of thepolarization field,
i. e. oc i rather than in the totalintegral, P(x).
In the case of asingle
atom
interacting
with radiation oneputs (according
tothe usual
quantum
mechanicalperturbation theory arguments
this is an« atomic »
self-energy term)
into theperturbation part
of thehamiltonian, V,
so that one can write 3Q’ =
HRAD
+HATOM
+ V. Thisdecomposition
is not extended when the formalism is
generalized
to describe interactionsinvolving
more than oneatom;
the entireintegral 03A3~d3xP(03B1 : x).P(03B2 : x)
~
is
regarded
as a contribution to theperturbation operator
V. It then follows thatinteractions
between different atoms can be described in terms ofpurely
retarded transverse radiation transfers
(there
are noexplicit
intermolecular Coulombenergies
in thehamiltonian)
and this often leads to asimplified
form of
perturbation theory
incomparison
with the conventional Coulomb gaugetheory
in which static Coulomb terms maygive
rise to difficulties[16], [17).
Finally
we show how theperturbation operators,
forexample
Vol. XXIII, no 4- 1975.
376 R. G. WOOLLEY
may be transformed to the familiar
multipolar form;
with the aid of
(48)
we may write for one atomIn the
long wavelength
limitE(z)
isapproximately
constant over the rangeof
integration (roughly
the extent of the electron distribution in theatom)
so that it may be moved to the left of the
integral sign,
and(50)
reduces towhere d is the usual electric
dipole operator. Higher
ordermultipole
ope- rators aregenerated by expanding
theintegrand
in(50) about!..
as aTaylor
series and
integrating
termby
term.4. DISCUSSION
In the
previous
sections we have shown that thelagrangian
in equa- tion(3)
which isexpressed
in terms of theelectromagnetic
field variables and the materialpolarization fields,
leads to theexpected equations
of motionfor the
charged particle (the
Lorentz ForceLaw)
and theelectromagnetic
field
(the
Maxwellequations)
whensupplemented by
the definitions inequation (8). Starting
from thislagrangian
we have constructed anequivalent
classical hamiltonian
description, equations (44)-(46),
in which thedynamical
variables are the
particle’s position R
andmomentum p,
and the transverse radiation field variables and_B(~).
Thepossibility
ofachieving
thisexplicit separation
of the radiation field from thelongitudinal
electricfield is
apparently
a consequence of the choice of thecurves z
=z(s)
whichhave no time
dependence,
and are thuspurely spatial
in character. If onewere to
attempt
a relativistictheory
based on the formalismgiven above,
it would be necessary to use curves inspace-time
if thetheory
were to bemanifestly
covariant. We shall not however pursue a covarianttheory here,
and shall
only
refer to the formulations ofquantum electrodynamics proposed by
Mandelstam[18]
andGoldberg [19].
The combination of this hamiltonian scheme with the usualperturbation theory
methodsprovides
an
extremely
convenient formalism fordiscussing
the interactions of mole- cules withradiation,
and it is in molecularphysics
that this formalism maybe
expected
to find its most valuableapplications [1], [13], [16].
Although
we have eliminated the fieldpotentials,
the interaction terms arenon-local,
and it is thisnon-locality
which enables us to describe theAnnales de l’Institut Henri Poincaré - Section A
Bohm-Aharonov effect with the hamiltonian
(44).
Bohm and Aharonovconsider the
scattering
of an electron beamby
a uniformmagnetic
fielddue to a solenoid of radius a, which is
perpendicular
to theplane
of thebeam,
and show that
quantum
mechanics(but
not classicalmechanics) predicts
the existence of a novel interference effect even
though
the electrons neverpass
through
aregion
of non-zeromagnetic
induction[8], [9], [20].
Insidethe solenoid the field has
magnitude Bo
whereas outside the solenoid the field vanishes. Theperturbation operator required
comes from the term(p
+Q(B))2/2m
in thehamiltonian,
and so we must evaluate theintegral Q(B)
It is natural to use
cylindrical
coordinates(R,
x,0)
since thenonly Qo
is non-zero for the
experimental configuration
described above.Choosing
the
integration path
as thestraight
line from the centre of the solenoidto the
particle coordinate, z
=sR (0 s 1),
wefind.r(s)
= s,= R
and
where
(H(x)
is Heaviside’sstep function)
describes the cut-off in the field at the surface of the solenoid. Thusand so we obtain
exactly
the sameSchrodinger equation
as that discussedby
Bohm and Aharonov in theiroriginal
article[8].
ACKNOWLEDGMENTS
The financial
support
of I. C. I. andTrinity Hall, Cambridge
isgratefully acknowledged.
This paper is dedicated to the memory of the late Professor C. A.Coulson,
F. R. S whose kindness andencouragement
has been veryimportant
to the author.REFERENCES
[1] P. W. ATKINS and R. G. WOOLLEY, Proc. Roy. Soc. (London), t. A319, 1970, p. 549- 563.
[2] Aa. E. HANSEN, Am. J. Phys., t. 39, 1971, p. 653-656.
Vol. XXIII, n~ 4 - 1975. 27
378 R. G. WOOLLEY
[3] S. STENHOLM and J. SAVOLAINEN, Am. J. Phys., t. 40, 1972, p. 667-673.
[4] S. STENHOLM, Physics Reports, t. 6C, 1973, p. 1-121.
[5] E. A. POWER and T. THIRUNAMACHANDRAN, Mathematika, t. 18, 1971, p. 240-245.
[6] S. R. DE GROOT and L. G. SUTTORP, Foundations of Electrodynamics, North-Holland, 1972.
[7] M. BABIKER, E. A. POWER and T. THIRUNAMACHANDRAN, Proc. Roy. Soc. (London),
t. A332, 1973, p. 187-197.
[8] D. BOHM and Y. AHARONOV, Phys. Rev., t. 115, 1959, p. 485-491.
[9] Y. AHARONOV, H. PENDLETON and Aa. PETERSEN, Int. J. Theor. Phys., t. 2, 1969,
p. 213-230.
[10] G. E. HAY, Vector and Tensor Analysis, Dover Books, New York, 1953.
[11] P. A. M. DIRAC, Ann. Inst. Henri Poincaré, t. 13, 1952, p. 1-42.
[12] P. A. M. DIRAC, Lectures on Quantum Mechanics, Academic Press, 1964.
[13] E. A. POWER, Introductory Quantum Electrodynamics, London, Longmans Green, 1964.
[14] P. G. BERGMAN and I. GOLDBERG, Phys. Rev., t. 98, 1955, p. 531-538.
[15] R. G. VVOOLLEY, Proc. Roy. Soc. (London), t. A321, 1971, p. 557-572.
[16] E. A. POWER and S. ZIENAU, Phil. Trans. Roy. Soc. (London), t. A251, 1959, p. 427- 454.
[17] E. H. KENNARD, Phys. Rev., t. 39, 1932, p. 435-454.
[18] S. MANDELSTAM, Annals of Physics, t. 19, 1962, p. 1-20.
[19]
I. GOLDBERG, Phys. Rev., t. 139B, 1965, p. 1665-1670.[20] W. EHRENBERG and R. E. SIDAY, Proc. Phys. Soc. (London), t. 62B, 1949, p. 8-21.
(Manuscrit reçu le 14 janvier 1974).
Annales de l’Institut Henri Poincaré - Section A