A NNALES DE L ’I. H. P., SECTION A
A LAIN J OYE
An adiabatic theorem for singularly perturbed hamiltonians
Annales de l’I. H. P., section A, tome 63, n
o2 (1995), p. 231-250
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231
An adiabatic theorem for
singularly perturbed hamiltonians*
Alain JOYE**
Department of Mathematics
and Center for Transport Theory and Mathematical Physics, Virginia Polytechnic Institute and State University
B lacksburg, Virginia 24061-0123, U. S .A.
Vol. 63, n° 2, 1995, Physique theorique
ABSTRACT. - The adiabatic
approximation
in quantum mechanics is considered in the case where theself-adjoint
hamiltonianHo (t), satisfying
the usual
spectral
gapassumption
in this context, isperturbed by
a termof the
form ~ H1 (t).
Here c ~ 0 is theadiabaticity
parameter andHI (t)
is a
self-adjoint
operator defined on a smaller domain than the domain ofHo (t).
Thus the total hamiltonianHo (t) (t)
does notnecessarily satisfy
the gapassumption,
V e > 0. It is shown that an adiabatic theoremcan be proven in this situation under reasonable
hypotheses.
Theproblem
considered can also be viewed as the
study
of atime-dependent
systemcoupled
to atime-dependent perturbation,
in the limit oflarge coupling
constant.
On considere
1’ approximation adiabatique
enmecanique quantique
dans Ie cas ou l’hamiltonienauto-adjoint H0 (t),
satisfaisantl’hypothèse
habituelle de lacunespectrale
dans ce contexte, estperturbe
parun terme de la
forme ~ H1 (t) .
Ici ~ ~ 0 est Ieparametre
d’ adiabaticite etHI (t)
est unoperateur auto-adjoint
deiini sur un domaineplus petit
que celui deHo (t).
Ainsi 1’hamiltonien totalHo (t)
satisfait pas* Partially supported by Fonds National Suisse de la Recherche Scientifique, Grant 8220- 037200.
** Permanent address; Centre de Physique Theorique, C.N.R.S. Marseille, Luminy Case 907, F-13288 Marseille Cedex 9, France and PHYMAT, Universite de Toulon et du Var, B.P. 132, F-83957 La Garde Cedex, France.
Annales de l’Institut Henri Poincaré - Physique theorique - 0246-0211
necessairement
l’hypothèse
de lacunespectrale,
V c > 0. On montrequ’ un
theoreme
adiabatique peut
etre demontre dans cette situation moyennant deshypotheses
raisonnables. Leprobleme
considere peut aussi etre vu comme l’étude d’ unsysteme dependant
dutemps couple
a uneperturbation dependante
du temps, dans la limite degrande
constante decouplage.
1. INTRODUCTION
Due to its central role in
Quantum Mechanics,
thetime-dependent Schrodinger equation
has been theobject
of numerous studies. Since exact solutions to thatequation
are rather scarce, severalasymptotic regimes governed by
a set of suitable parameters were considered.Among
theseasymptotic conditions,
the so-called adiabaticregime
is awidely
used limitin
physics.
The adiabatic limit describes the evolution in time of a system when thegoverning
hamiltonian is aslowly varying
function of time. Atypical example
is theslow,
with respect to the time scale of the system,switching
on and off of timedependent
exteriorperturbations.
Thisregime
also
plays
animportant
role in thestudy
of modelsinvolving
slow and fastvariables,
like molecular systems.Mathematically speaking,
the adiabatic limit is asingular limit,
as is the semi-classical limit. Itcorresponds
to thelimit c -4 0 of the
equation
where the
prime
denotes the timederivative, ~ (t)
is a vector valuedfunction in a
separable
Hilbert space 7-~ andHo (t)
is a smoothenough family
of selfadjoint operators,
bounded from below and defined on some timeindependent
dense domainDo.
We denoteby !7~ (t)
the associatedunitary
evolution operator that!7~ (0)
= F. Let us further assume that thereis a gap in the
spectrum
ofHo (t)
forany t
E[0, 1]
and denoteby Po (t)
the
spectral projector corresponding
to the boundedpart
of thespectrum.
Then,
the adiabatic theorem of quantum mechanics asserts that there existsa
unitary operator
V(t) satisfying
theintertwining property
which
approximates UE (t)
in the limit é 2014~ 0Annales de Henri Poincaré - Physique théorique
This means in
particular
that a solution of( 1.1 )
such thatwill
satisfy
for
any t ~ [0, 1].
In otherwords,
such a solution follows thespectral subspace Po
up tonegligible
corrections in the limit c 2014~ 0. This formulation is ageneralization
of theearly
works[BF]
and[Kal ]
andcan be found in
[Nl], [ASY]. Recently,
several refinements and furthergeneralisations
of this result were proven on arigourous basis,
see[N2], [JP 1 ]
and the references therein. Most of these works deal with the construction ofhigher
andhigher
orderapproximate
solutions to( 1.1 )
in the limit 6- ~ 0, even up to
exponential order,
underhypotheses
similarto those
loosely given
above. Inparticular,
thespectral
gaphypothesis
is crucial for these results to hold. Another
generalisation
of the adiabatictheorem consists in
trying
to get rid of the gaphypothesis.
Such a result wasobtained
by Avron,
Howland and Simon[AHS]
who considered the caseof hamiltonians with dense pure
point
spectrum. Under certain conditionson the mismatch of resonnances
they
could prove similar results to( 1.5)
for two kinds of
hamiltonians,
withPo (t)
thecorresponding,
either finiteor infinite
dimensional, spectral projector.
1.1. The
problem
In that paper we consider a related natural
generalisation
of the adiabatic theorem which consists inadding
to the hamiltonian aperturbation
of orderc. We
simply replace
the hamiltonianHo (t) satisfying
a gaphypothesis by
theperturbed
hamiltonian+ c~i(~),
where theself-adjoint perturbation Hl (t)
is defined on some timeindependent
dense domainD1.
Thiscorresponds
to the first order correctionsteming
from a formalhamiltonian H
(t, ~) - H (t)
+ cHl (t) -I- ~~
+ " ’~ forexample.
If
D1 ~ Do, regular perturbation theory
shows that the total hamiltonian satisfies the gapassumption
for ~ smallenough,
so that the usual adiabatic theoremapplies.
However, ifDl
cDo,
theterm ~ H1 (t)
becomes verysingular eventhough e
2014~ 0 in the adiabatic limit. Inparticular,
if the gaphypothesis
holds forHo (t),
it doesn’t hold ingeneral
for the(suitable
extension of
the) operator Ho (t)
-f- ~Hl (t),
no matter how small c is. Weare thus in another case where the
driving
hamiltonian has no gap in its spectrum. We consider theequation
63, n° 2-1995.
on the suitable domain for the hamiltonian in the limit ê 2014~
0,
underthe main
assumption
thatNo (t)
satisfies the gaphypothesis.
Our mainresult,
seeProposition 2.1,
is the construction of anapproximate
evolutionoperator
V(t) satisfying (1.2)
and(1.3), provided
someregularity
conditionsare satisfied. This result shows that the adiabatic theorem survives some
singular perturbations
or it can be viewed asproviding
another situationwhere the adiabatic theorem holds
although
thedriving
hamiltonian does notsatisfy
the gapassumption.
If the hamiltoniansHo (t)
andHI (t)
areboth
time-independent,
a verycomplete
discussion of thisproblem
can befound in
[N3].
It should also be noticed that the
equation (1.6)
rewritten ascan be viewed as
describing
the evolution of a system drivenby
thehamiltonian
.Hi (t) coupled
to theperturbation
in the limit of infinitecoupling
constant. Wegive
below anapplication
of our result in thissetting.
1.2. Heuristics
We want to
give
here a formal argumentexplaining why
this resultshould hold and what the
approximate
evolution V(t)
should be. Let!7i (t)
be defined
by
and let us consider the
corresponding
interactionpicture.
The operatorU (t)
== then satisfiesThe new hamiltonian
H (t)
is~-independent
and satisfies a gaphypothesis
if
Ho (t)
does withcorresponding spectral projector given by
In consequence, we can
apply
the standard adiabatic theorem to !7(t).
Thusthere exists an
approximate
evolution up toorder e,
V(t),
of 7(t)
such thatComing
back to the actual evolution thisimplies
thatAnnales de l’Institut Henri Poincare - Physique " theorique "
where the
approximation
V(t)
==!7i (t)
V(t)
is such thatIt is known
[Nl], [ASY]
that theapproximate
evolutionV (t)
isgiven by
the solution ofNow,
we computeso
that,
V(t)
shouldsatify
This
equation
is to becompared
with(2.17).
Of course, the mainproblem
to turn this sketch into a
proof
is thequestion
of domains. We want to stress the fact that ourgoal
is togive
here reasonablehypotheses
under which the adiabatic theoremholds, although
it should bepossible
to obtainhigher
order
approximations
in this case too,provided
additionalassumptions
aremade.
In the next section we
provide
aprecise
statement of our main result inProposition
2.1 andgive
aproof
of it. Further remarks onV (t)
anda
simple application
aregiven
at the end of the section. Theappendix
contains the
proofs
of technical lemmas.ACKNOWLEDGEMENTS
It is a
pleasure
to thank P.Briet,
P.Duclos,
G.Hagedorn
and E. Mourrefor
enlightening
discussions.2. MAIN RESULTS 2.1.
Hypotheses
We start
by expressing
here thehypotheses
we need in order to proveour main
Proposition
2.1.HYPOTHESIS D. - Let
Ho (t)
andHI (t)
be twotime-dependent
self-adjoint
operators in aseparable
Hilbert space 7-l which aredensely
definedon their
respective
domainsDo
andDI
for all t E[0, 1].
These domainsare assumed to be
independent
of t. We introduce the operatorand we further assume that there exists a dense domain D ç
Do
nDl
on which
H (t, ê)
isessentially self-adjoint.
Thus there exists a dense domainDo
nD1 ~
D on which the closure H(t, ê)
of H(t, ê)
isself-adjoint.
This domain D’ is alsosupposed
to beindependent
of t.HYPOTHESIS
Ro. -
The operatorHo (t)
isstrongly C2
onDo
and its spectrum To(t)
is divided into two parts03C3a0 (t) and 03C3b0 (t) separated by
a finite gap for all t E
[0, 1]
such that~o (t)
is bounded. LetPo (t)
bethe
spectral projector
associated with the partQ~ (t)
constructedby
meansof the Riesz formula
where
Ro (t, ~) _ (Ho (t) - ~)-1
and r is apath
in the resolvent set ofHo (t)
which encircleso~o (t).
Note that bothRo (t, A), A
E r andPo (t)
are
strongly C2
on 7~. Moreover, forany t
E[0, 1~,
HYPOTHESIS
Rl. -
Theoperator
isstrongly C1 on D1
andHl (0) Po (t)
isstrongly C°
on 7-l.Moreover,
for all(A, t)
E r x[0, 1~,
Almales de Hefari Poincaré - Physique theorique
HYPOTHESIS R. - We
finally require
theself-adjoint
H(t, ê)
to bestrongly
~’1
on D’ and bounded from below for all t E[0, 1].
- It follows from
hypothesis
D that H(t, c)
convergesstrongly
toNo (t)
as ~ ~ 0 in thegeneralized
sense so that the spectrum of H(t, c)
is
asymptotically
concentrated on anyneighbourhood
of the spectrum ofHo (t) ([Ka2],
p.475).
Hypothesis
D is of course also satisfied in the trivial caseD1 Do.
- To check
assumption (2.4),
it isenough
to show thatdue to the
identity
- It is also
actually enough
in R torequire
the existence for all t E[0, 1]
of a real number in the resolvent set of H
(t, e)
instead ofasking (t, E)
to be bounded from below.
2.2. Preliminaries
As a consequence of
hypothesis R,
we have a well definedunitary
evolution
U~. (t)
whichtogether
with itsinverse,
isstrongly
differentiableon
D’,
maps D’ into D’ andU~. (t)
satisfies theSchrodinger equation
(see [RS]).
Another direct consequence ’ of ourhypotheses
is thefollowing
£technical lemma, the
proof
of which isgiven
inappendix.
LEMMA 2.1. - Under conditions
D, Ro
andR1,
we havea) ~h (t) Po
bounded and ’We
actually
don’t need conditions(2.5)
to(2.8)
to prove this result.We set
where
Qo ?
==(F - Po (t)).
We have the immediateCOROLLARY 2.1. - The operator
self adjoint,
bounded andstrongly C1
on ~C.We also introduce ’
which is
bounded, self-adjoint
andstrongly C1
as well. Hence theperturbed
operatoris
self-adjoint,
bounded from below andstrongly C1 on
D’(see [Ka2]).
Thus there exists a
unitary
V(t)
whichtogether
with its inverse maps D’to
D’,
isstrongly
differentiable on D’ and V(t)
satisfiesLet us check that
consider ~ D C Since
0
ED0~D1
aswell,
we can writeusing Qo ?
= 11 -Po (t). Hence, (2.18)
holds as D is dense. It follows from classical results(see [Kr])
thatLEMMA 2.2. - Let
V (t) be defined by (2.17).
Thenfor
E[o, 1~.
This Lemma shows that V
(t)
follows thedecomposition
of the Hilbert space ~-l into x =Po Qo (t)
7~. Ourgoal
is now to show that this evolution is anapproximation
of the actual evolution as e 2014~ 0:PROPOSITION 2.1
(Adiabatic Theorem). -
AssumeD, Ro, Rl
and R andlet U~ (t)
bedefined by (2.11).
Theunitary
V(t) defined by (2.17) enjoying
the
intertwining
property(2.20)
is such thatPoincaré - Physique théorique
2.3. Proof of
Proposition
2.1In order to compare
UE (t)
and V(t),
we introduce theunitary
operatorA
(t)
=V-1 (t) UE (t).
It maps D’ to D’ and it satisfies for any cp E D’We have used the
unitary
ofV-1 (t)
and theproperty UE (t)
cp E D’ toderive
(2.22).
We want toperform
anintegration by
parts on the Volterraequation corresponding
to(2.22),
as in[ASY]
and[AHS].
Let B(t)
be abounded, strongly C1 operator
and R(B) (t)
be definedby
where ’ the
path 0393 is
as in(2.2).
LEMMA 2.3. -
If hypothesis Ro
holds, the operator 7Z(B) (t)
is bounded,strongly C1
and ’ maps ~C intoDo.
Moreover,The first
identity
is proven in[ASY]
and thesecond,
theproof
of whichis
given
inappendix,
is mentioned in[JP2].
Theproof
of the last assertionis
straightforward
and will be omitted.Hypothesis (2.3)
and(2.4)
are ofcourse not
required
toget
this Lemma.We need to control the range of R
(B) (t)
when B(t) (t) - Ko (t).
LEMMA 2.4. -
Ifhypotheses D, Ro
andRl
hold, then the bounded operator R(Hi - Ko) (t)
intoDo
nD1.
MoreoverProof. -
Consider the first statement. It follows from the first assertion of Lemma 2.3 that it is sufficient to show that Ran R(Hl - Dl
and it follows from the
part b)
of it that it isactually enough
to look atRan
Qo ~t~ R ~Hi - Ko~ ~t~ Po ~t~
== Ran R((Hl - Ko) Po~ ~t~. (2.28)
Vol. 63, n° 2-1995.
Consider now the operator
This operator is well defined
because,
see(2.10),
maps ~l into
D1 by hypothesis R1. Moreover, (2.29)
isuniformly
boundedin
(A, t)
E r x[0, 1]. Indeed,
where
~fi (t) (0)
+i)-1
is bounded due to the closedgraph
theoremand
strongly Cl
and(sinceH1 (0) Po (t)
isCB
see(A.5).)
Thisimplies
that both strongintegrals
Annates de l’Institut Henri Poincaré - Physique ’ theorique ’
exist for
any 03C8
E H.Hence,
since.Hi (t)
isclosed,
the vector(2.33) belongs
to
Dl
and(2.34) equals HI (t) applied
on(2.33).
The second statement follows the fact that(2.34)
isuniformly
bounded in t E[0, 1]. -
We can now construct a modified
integration by parts
formula which is the main tool to prove the adiabatic theorem:LEMMA 2.5. - For
any 03C8
E?-l,
we can writewhere , C
(-s)
isbounded and satisfies
Proof. --
On the onehand, using
the definition ofjH~ ( s )
and theproperty (2.10),
we can writeusing
lemmas 2.2 and 2.3On the other
hand,
for any 03C6 En° 2-1995.
Note that
Ko) (s)
maps 7~ intoDo
nDI (Lemma 2.4),
so that differentiation of the operator V-1(s)
on the left of(2.38)
isjustified.
Replacing
cpby Po (0) ~
andusing
the propertywe can
expand
the commutatorBy
Lemma2.3,
partb) again,
it iseasily
checked thatso that the formula of Lemma 2.5 follows. The commutator
is
uniformly
bounded in s, as seen from Lemma 2.4 and theidentity
which is proven as part
a)
of Lemma 2.1.Indeed,
it isreadily
checked from Lemmas 2.3c)
and 2.4 that R(Hl - Ko) (s)
has therequired properties.
The uniform boundedness in s and ~ of C
(s)
then follows from thestrong continuity
of 7Z’(Hl - (s)
and from theunitary
of V(~). ~
Remark. - It is essential to consider
Po (0) ~
instead of cp E D in(2.40)
to
expand
the operatorHo
+~ H1
because V(s ) cp
does notnecessarily belong
toDo
nD1.
Let us consider the
projection
inQo (0)
7~ of theintegral equation corresponding
to(2.22).
Annales de l’Institut Henri Poincare - Physique " theorique "
We can
apply
Lemma 2.5 and make use of(2.22)
to writeSince the
only ~-dependent operators
A(s)
and V(s)
areunitary
and theabove
operators
are alluniformly
bounded in s E[0, 1~,
we have arrived toSimilarly,
Taking (2.46)
into account weget
n° 2-1995.
hence
Finally,
since theprojector Po (0)
isself-adjoint
and A(t)
isunitary
wecan write
uniformly
in t E[0, 1].
This lastequation
and(2.46) imply A (t)
:;=II + (9
(e), uniformly
in t E[0, 1].
The definition of A(t) eventually yields
2.4. Factorization of V
(t)
We can now
decompose
theapproximate
evolution V(t)
as in the usualadiabatic theorem. Let W
(t)
be definedby
and consider the
unitary operator ~ (t)
=W-1 (t)
V(t).
SinceW
(t) Po (0)
=Po (t)
W(t)
for all t, we haveThe
~-independent
operator W(t)
has ageometrical meaning
and describesa
parallel transport
ofPo (t)
?~ and(t)
is theanalog
of adynamical phase
which issingular
in the limit ~ -+ 0. When restricted toPo (0) 1-("
theoperator 03A6 (tj
satisfies asimple
lineardifferential equation
with bounded generator.LEMMA 2.6, - Under
hypatheses D, Ro, P1
we haveAnnales de l’Institut Henri Poincare - Physique " theorique "
where ~
(t) Po (0) satisfies
Accordingly,
ifPo (0)
is one dimensionaland 03C8
=Po (0)
where eo
(t)
is the associatedeigenvalues
ofNo (t)
and e 1(t)
is obtainedby
first orderperturbation theory
Proof. - Using (2.53),
theintertwining property,
andhypothesis Ro,
wehave
2.5.
Example
We
present
here a verysimple application
ofProposition
2.1. Let ~-l bethe Hilbert space
LZ
andHere
w (~, t)
is a smooth real valued function withcompact
support in IRn x[0, 1]
andDl
is the domain of theself-adjoint
extension of-~- A
+ úJ(x, t)
onCo (R~).
The unit vector E ~-l for all t E[0, 1]
and
(3 (t)
is a real valued function of[0, 1].
We consider theequation
63,n" 2-1995.
on the domain D’ =
Dl
in the limit e ~ 0. Thisequation
describesthe
dynamics
of aparticule
in apotential strongly coupled
to a rank oneoperator, in the
spirit
ofequation (1.7).
We further assume that and,~ (t)
areC2
and thatThus the spectrum of ==
{0, ,~ (t)},
is divided into twodisjoint
parts. Note that the spectrum of.Hi (t)
consists in thepositive
realaxis
plus
somenegative eigenvalues, depending
on w(~, t).
SinceHo (t)
is rank one, the spectrum of
Ho (t)
+eHl (t)
is of the same nature, so that/3 (t)
is notisolated,
VE > 0. Under the additionnalhypotheses
it is
readily
checked that ourhypotheses D, Ro, R1
and R are satisfied withand
By
virtue ofProposition
2.1 and abovecomputations, if 03C8 (0)
= cp(0),
thenHere
is a real valued 0 function and 0 the last term in the
integrant
comes from theparallel transport
operatorW (t) .
Annales de l’Institut Henri Poincaré - Physique theorique .
A. PROOF OF LEMMA 2.1
a)
We first show the boundedness of theseoperators.
Since~fi (t)
is self-adjoint,
it isclosed,
andhypothesis (2.3)
onPo (t) implie
that.Hi (t) Po (t)
is well defined on and is closed as well.
Hence, by
the closedgraph theorem,
it is bounded. Since all operators aredensely defined,
we havethe
general
relationwhere
Po (t) Hi (t)
=Po (t) Hl (t)
and~fi (t) Po (t)
is bounded. AsDl
is dense in ~-l we deduce from the extensionprinciple
thatis bounded.
Finally,
holds since
Po (t)
isbounded, [Ka2]
p. 168.b)
Because ofassumption (2.4)
the operator.Hi (0) Po (t)
is bounded(see above)
and it isstrongly 00
on ~-lby hypothesis.
Hence the vectorHl (0) Po (t)
cp,where cp
E7~,
isintegrable
and sinceHl (0)
is closedwe can write
Thus the bounded
operator .Hi (0) Po (t)
isstrongly 01
andConsider
where
~fi (t) (0) +i)-1
is also bounded andstrongly 01 by hypothesis.
Since ~H1 (t) (0)
+ isuniformly
boundedin t,
we getwhere all operators are bounded and
strongly
continuous.Vol. 63, n ° 2-1995.
c)
Let (~e Di.
The vectoris well defined and continuous since
Po (t)
isuniformly
bounded in t. Onthe one
hand,
it follows from theforegoing
thatwhere
Hl (t) Po (t)
is bounded andstrongly 00. Hence P’0 (t) H1 (t)
isuniformly
bounded in t. On the otherhand,
as~fi (t)
is selfadjoint, Hf (t)
is
symmetric
onD1.
Thus we can writewhere
Nnw
so this
operator
is closed andeverywhere defined,
hencebounded,
and it isstrongly 00.
The same is true for(0)
+i) Po (t)
so thatapplying
theextension
principle again
weeventually
obtain the uniform boundedness in t of theoperator Po (t).
It follows that(Po (t) Hl M/
isstrongly
continuous on a dense domain and is
uniformly
bounded. Thusby
virtueof Theorem
3.5,
p. 151 in[Ka2],
it isstrongly
continuous onB. PROOF OF LEMMA 2.3
b)
By
definitionwhere the
paths f,
r’ and r" are in the resolvent set ofHo (t);
donot intersect and f surrounds r’ which surrounds T" which surrounds
Annales de l’Institut Henri Poincaré - Physique theorique
Qo (t).
We can write theintegrand
under thefollowing form, using
the firstresolvent
equation
Now, integrating
each term over the variable that does not appear in the resolvents, we obtain the resultby
theCauchy
formula. For the term(B) (t) Qo (t)
we use the definition ofQo (t)
and the above result to obtainWith the same
paths
as above wecompute
and
where the last term in
(B.4)
and(B .5 ) drops
after anintegration
over A~.Let us
perform
theintegration
over A in the first term of(B.4)
63, nO 2-1995.
by
theCauchy
formula. Thus it remainswhere the first two terms vanish
by
theCauchy
formula and the last twoby
definition of 7~(B) (t).
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(Manuscript received October 17, 1994. )
Annales de Henri Poincare - Physique " theorique "