A NNALES DE L ’I. H. P., SECTION A
I. M. S IGAL
Complex transformation method and resonances in one-body quantum systems
Annales de l’I. H. P., section A, tome 41, n
o1 (1984), p. 103-114
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103
Complex transformation method
and
resonancesin one-body quantum systems
I. M. SIGAL (*)
Department of Theoretical Mathematics,
The Weizmann Institute of Science, Rehovot 76100, Israel
Vol. 41, n° 1,1984, Physique theorique
ABSTRACT. 2014 We
develop
a newspectral
deformation method in orderto treat the resonance
problem
inone-body
systems. Our result on themeromorphic
continuation of matrix elements of the resolvent across the continuous spectrumoverlaps considerably
with an earlier result of E. Balslev[B] ]
but our method is muchsimpler
and moreconvenient,
we
believe,
inapplications.
It isinspired by
the local distortiontechnique of Nuttall- Thomas-Babbitt-Balslev (see [BB2] ] [Jl] ] [J2] ] [N] ] [T ]),
furtherdeveloped
in[B ] but patterned
on thecomplex scaling
method of Combes and Balslev(see [AC] ] [BC] ] [Simi] ] [Hu ]).
The method isapplicable
tothe multicenter
problems
in which eachpotential
can berepresented, roughly speaking,
as a sum ofexponentially decaying
anddilation-analytic, spherically symmetric
parts.RESUME. 2014 Nous
developpons
une nouvelle methode de deformationspectrale
pour traiter Ieproblème
des resonances dans lessystemes
a uncorps. Notre resultat sur Ie
prolongement meromorphe
d’clements de matrice de la resolvante a travers Ie spectre continu a un recouvrementimportant
avec un resultat anterieur de Balslev[B ],
mais notre methodeest
beaucoup plus simple
et nous sembleplus
commode pour lesappli-
cations. Elle est
inspiree
par latechnique
de distorsion locale de Nuttal- Thomas-Babbitt-Balslev(voir [BB2] ] [Jl] ] [J2] ] [N] ] [T ]) developpee
ensuite dans
[B ],
mais elle suit la methode dechangement
d’echelle com-(*) Charles H. Revson Senior Scientist.
de l’Institut Henri Poincaré - Physique theorique - Vol. 41, 0246-0211 84/01/103/12~ 3,20 (Ç) Gauthier-Villars
104 I. M. SIGAL
plexe
de Combes et Balslev(voir [AC] ] [BC] ] [Simi] ] [Hu ]).
La methodes’applique
auxproblemes
aplusieurs
centres pourlesquels chaque potentiel
peut être
represente,
en gros, comme une somme de termes asymétrie spherique, analytiques
par dilatation et a décroissanceexponentielle.
1. INTRODUCTION
The
complex scaling method,
whichis, essentially,
due to J. M. Combesand E. Balslev
([C] ] [BC] ] [AC ],
see also[Siml])
turned out to be a very effective tool in thestudy
of resonances(see [San ], especially
the contribu- tionby
B. Simon[Sim2 D.
However the method is restricted to the dilationanalytic potentials,
hence itspreoccupation
with atomic systems.Co
andmulticenter
(i.
e. of the formRJ) potentials
are not treatedby
this method. This leaves out an essential part of the nuclear systems and the entire
subject
ofBorn-Oppenheimer
moleculae. Tworigorous
methodswere
developed
in order to overcome this restriction : local distortiontechnique
due to Babbitt and Balslev[BB2 ],
Nuttall[N] and
Thomas[T] ] (see
also[Jl] ] [J2 ])
and the exteriorcomplex scaling
method of Simon[Sim3 ] (we
mention alsonon-rigorous
but effective method ofMcCurdy
and
Rescigno [McCR ]).
In this paper we propose the
third-complex
transformation-method.This method
generalizes
thecomplex scaling
method in a way different from the exteriorscaling
method and which is close inspirit
to the localdistortion
technique.
As in the other two methods its aim is to deformthe spectrum of a
Hamiltonian, H,
inquestion.
It isapplicable
to one-particle
systems with multicenterpotential, produced by
sums of expo-nentially decaying
anddilation-analytic, spherically symmetric
terms. Itproves for these
potentials
that the matrix elements of the resolvent(
u,(H - z) -1 v ~
on a dense set of vectors u and v havemeromorphic
continuations across the continuous
spectrum
of H(into
the second Riemannsheet)
withpoles
of these continuationsoccuring
at thecomplex eigenvalues
of a certainnon-self-adjoint
operator(and which,
of course,are
independent
of u andv).
This resultoverlaps considerably
with oneof Balslev
[B ] but
ourproof
issimpler
andis,
webelieve,
more accessibleto
generalizations.
Thefollowing problems suggest
themselvesnaturally
to the next attack :
-
i) Complex
transformation method formany-body systems.
ii)
Existence of resonances in the multicenterproblem (Born-Oppen-
heimer
molecules).
Annales de l’Institut Henri Poincaré - Physique theorique
2. RESULTS
We consider a class of
Schrodinger
operators H = - ~ +V(x)
onL2((~n).
Here A is theLaplacian
and V is a realpotential.
We assume thatV is
A-compact,
i. e. compact as amultiplication
operator from the Sobolev space toL2(~n).
Then H isself-adjoint
onD(H)
= =H2((~n)
and
~’( - ~) = [0, oo) (see [RSII] ] [IV] ] [Sigl ]).
We use the
following
notations :II’ 1/ = (E~2) 1 /2
andfor ~ _ (~ 1, ... , ~n) E ~n. Note: I
for x E n.To
apply
ourtechnique
we assume henceforth thefollowing
CONDITION 2.1. The Fourier transform
V(/?) of V(x)
is the restriction to [R" of a functionV(~), analytic
in the domainfor some
5,
7 > 0 and a and which satisfiesfor some y
> /3
> 0.m
LEMMA 2 . 2. Let
V(x)
=Vi(x - Ri),
where andVi(x)
cari= 1
be written as
Vi
=Ui
+Wi
withfor
> n andsome ~~,
Ei >0,
andWi(x)
aredilation-analytic
andspherically symmetric
withanalytic
continuationsobeying (as
a functionof the radial variable
only)
Then V satisfies condition 2.1 with a = 1 and some 5.
Proof
- Note first that ifV(x)
satisfies condition2.1,
then so doesV(x - R)
for any R E !R" and with the same b and x’ = max(a, 1 ). Clearly,
the class of
potentials
inquestion
is also closed under the addition.Furthermore, gi
haveanalytic
continuations into the setswhere ~’i
Ei, whichsatisfy
the estimatesVol. 41, n° 1-1984.
106 I. M. SIGAL
Using elementary properties
of the convolution one concludes thatUi
have
analytic
continuations to the same sets and these continuationsverify
the estimate --The Fourier transform of
Wi
is alsospherically-symmetric.
LetBy
the Babbitt-Balslev theorem[BB 1,
th.4.1] ]
h is the restriction of afunction
h(z), analytic
in a sectorHence
Wi(p)
is a restriction to ~n of the functionanalytic
in7T ð
This domain contains
provided _ ~ ~ ~
-.Indeed, using
4 1- ð
we compute
for |arg ~03BE~ |
.,
Now, ~(!! ~!) obeys
estimate(2 . 2)
onA~o. ~ = .20142014.
as follows from(2. 3)
and theinequality
1 ~ ~Denote
by ~o
the set of vectors u from whose Fourier transforms u are the restrictions of functionsanalytic
in domains(2 .1 )
andobeying
the estimate
The next theorem
overlaps considerably
with the Balslev theorem[B ].
THEOREM 2 . 3. Assume V satisfies condition 2.1.
Then (
u,(H - ~,) -1 v ~
with u, admits a
meromorphic
continuationfrom C+ (resp. C-)
to
a ~ - - (resp. ~) neighbourhood
of /L Thepoles
of this continuationoccur at and
only
at theeigenvalues
of a certainnon-self-adjoint
operator constructed below(see (3.16), (3.17)). They
areindependent
of u and v.l’Institut Henri Poincaré - Physique theorique
3. COMPLEX TRANSFORMATION METHOD
In this section we
develop
thecomplex
transformation method which is ourprincipal
tool intackling
the resonanceproblem.
Let
f
be areal,
bounded andboundedly
differentiable vector-fieldon [R". This vector field defines
uniquely
the flow [R" -+~
Define the one-parameter
family
where is the Jacobian Rn ~ Rn. Note that since 03C603B8 is a
flow,
> 0 for
all p
E [R" and e.is, actually,
a group ofunitary
operators :and
The
unitarity
followsreadily
from the definition and the group property follows from thecorresponding
property of the flow :REMARK 3.1. - A
straightforward computation gives
theexpression
for the generator
D f
ofU f(8) :
For
f(p)
= p,this,
asexpected,
is thegenerator
of dilations. As agenerator
of aone-parameter unitary
group,D f
isself-adjoint. Independently,
thiscan be verified
using
the commutator theorem[RSII ].
Earlier and in a different context the group
Uy(0)
was consideredby
E. Mourre
[Mo] (we
thank E. Mourre forpointing
this out to usduring
our communication about the
present work).
We
impose
thefollowing
restriction on the vector-fieldf :
CONDITION 3 . 2.
f
is the restriction of a function(denoted by
the samesymbol f ) analytic
in the tubeVol. 41,~1-1984.
108 I. M. SIGAL
and
obeying
there the estimatesand
denotes the
(operator)
norm for n x ncomplex
matrices and(D/)(0
stands for the derivative off at ( (an n
x nmatrix).
LetLEMME 3. 3. Assume
f obeys
condition 3.2. Then and haveanalytic
continuations in () into thecomplex strip {
zz ~ bM -1 ~
and these continuations
verify
the estimatesfor y
E( 0, ~ C )
and
Moreover,
Image
andImage Image
c with ~ =3Cy.
Proof.
The existence of theanalytic
continuations isguaranteed by
the
general
O. D. E.theory (see [CL,
pp.34-36 ]).
To prove the estimateswe use a standard
tool,
theintegral equation
where the
integral
is takenalong
acomplex path joining
0 and0,
say,along
thestraight
line. We haveThis
implies
forCy 1,
This
inequality yields
Annales de l’Institut Henri Poincaré - Physique ’ theorique ’
This
together
withequation (3.13) gives
(3.11)
isproved
0 in the same ’ way as(3.10)
but one ’ uses(3.9)
instead 0To show
(3 .12),
one uses the known formula[CL,
p.36 ]
where tr is the trace of the matrix
(Df)(p) ~ [~fi ~pj (p)], and remarks
L~- J
Finally
we show thatImage
andImage Image
cUsing
estimate(4.10)
andequation (3.13)
we obtainThis
inequality yields
Furthermore, equation .(3.13),
condition(3 . 9)
and estimate(3 .11) give
The last
inequalities imply
thatImage
andImage Image
cAa,«
with~=3Cy.
0Henceforth we are
working
in the momentum representation. Let T be themultiplication
operator onby ~p~2 (the
Fourier transform of theLaplacian).
Due toequation (3.10), U/0)
mapsD(T)
intoD(T) ( = D(H))
for real 8. Consider the
family
We compute where
Here we have used the
following
notationsVol. 41, n° 1-1984.
110 I. M. SIGAL
and
(for
Vsatisfying
condition 2.1 and for ~obeying Image
~) -Image
~=A.,)
The definition of
T(0) implies
LEMMA 3.4. - If the vector-field
f obeys
condition 3.2, thenH(e)
has an
analytic
continuation in 0 into thestrip {z ~ C| |Im z| b M-1}.
This continuation is defined and closed in the same domain
D(T). Moreover,
Proof
The lemma follows from condition 2.1 onV,
lemma 3.3 and theorem 4.1 of the next section. DNow we derive the property of
H(o)
to which the method owes its exis-tence.
LEMMA 3 . 5. 2014 Let ~ 7~ 0 be real and let the vector field
f satisfy
condition3.2 and the conditions and
Then for Im 0 >
0, sufficiently small,
isdisjoint
from a connectedopen set
containing
for some
positive
C and c.Proof
The statement follows fromequations (3.20)
and(3.21)
andlemma 3.6 below. D
LEMMA 3 . 6. Under the conditions of lemma
is
disjoint
from a connected opencomplex
setcontaining (3.24).
Proof
2014 We use theidentity
Using again equation (3.13)
we estimateAnnales de Poincaré - Physique theorique
where
Next we have
which
implies
This
inequality
and the conditions onf(p) imply
the statements of the lemma. D4. SPECTRUM OF
T,
+VqJ
In this section we determine the essential spectrum of operators of the form
T~
+V
whereT~
andVqJ
are defined in(3.18)
and(3.19).
We restrict: ~n ~ ~n as
and there exist constants
Ci
> ci > 0 s. t.THEOREM 4.1. Let V
obey
condition 2.1 and let ~psatisfy
conditions(4 .1 )-(4 . 4).
ThenT
+V
is defined as a closed operator inD(T)
andProof
Observe firstthat, by (4.1)
and(4. 2),
=D(T). Moreover,
By
an abstract result of[Sig2,
th.5 ],
it suffices to show thatV03C6
isT03C6-
compact
(in
the restricted sense : and is compact for some, and thereforeall,
LEMMA 4 . 2. Let V
satisfy
condition 2 .1 and let ~pobey (4 .1 )-(4 . 4).
Then defines a
T03C6-compact
operator.Proof
- Conditions(2.2)
and(4.2)-(4.4) imply
thatwhere
Vol. 41, n° 1-1984. 5
112 I. M. SIGAL
Taking
this into consideration andusing
theYoung inequality (see [RSII ])
we obtain ....
for some a and b.
Using
now(4.1)
and(4.2)
and definition(2.1)
ofwe derive
(this
means thatVlp
isT03C6-bounded).
Thisimplies
that03BB)-1
isbounded for .
To demonstrate the compactness we note first that due to
(4. 2)
and(4 . 7)
the kernel of
~,) -1
is of the formwhere h is a bounded function. Observe now that the operators with the kernels
where x E
C~(~)
andx(t)
= 1for ~ t ~ 1,
are Hilbert Schmidt and converge to~,) -1
as n -+ oo in the uniform operatortopology.
Hence~,) -1
is compact as a norm-limit of compact operators[RSI,
thm VI
12,
p.200 ].
The statement of theorem 4.1 follows from lemma
4.2,
thegeneralized Weyl
theorem(see [Sig2 ])
andequation (4 . 6).
D5. PROOF OF THEOREM 23
We
begin
with a definition and apreliminary
discussion of ageneral
character. Let A be the set of all
Uf(03B8)-analytic
vectors, i. e.A = {g
EL2(Rn) | Uf(03B8)g
has ananalytic
continuation from R to an opencomplex having
a nonempty intersection with[R}.
Note first that the
analyticity
domain (!) of a vector g can beautomatically
extended to the
strip
Indeed,
if is ananalytic
continuation of into~
thendefines an
analytic
extension of~(0)
toSa.
Secondly,
j~ is dense in(it contains,
forinstance,
Annales de l’Institut Henri Physique - theorique -
where is the
spectral projection
for theself-adjoint
operatorMoreover,
if u Ej~o (defined
in section2)
andf
satisfies condition3 . 2,
thenby
lemma3 . 3,
Proof of
theorem 2.3. 2014 Given ~, >0, pick
a vector-fieldf , satisfying
the conditions of lemma 3 . 5. Let be the
corresponding unitary
group.We
apply
the standard Combes argument.By
virtueof unitarity
for real
0,
we havewhere and We have used the notation =
Uf(e)g.
Ifu,
v E ~,
then the r. h. s. can beanalytically
continued in 9 into astrip (along tR) (see
lemma3 . 4). Equality (5.1) does,
of course, stay valid forcomplex
e. Afterthat, using
lemma3 . 5,
we extend the r. h. s. from C+to the
disc z - ~, ~ c(Im e) figuring
in the statement of lemma 3 . 5.This furnishes the desired
meromorphic
continuation of the 1. h. s. of(5 .1).
Clearly,
thepoles
of this continuation occur at andonly
at theeigenvalues
of
H(Q,
>0,
whichby
the standard Combes argument(see
e. g.[Hu] [RSIV])
areindependent of (as long
asthey
stay away fromD
ACKNOWLEDGEMENT
The author is very
grateful
to E.Balslev,
B. Simonand, especially,
to I. Herbst for
illuminating
discussions.[AC] J. AGUILAR and J. M. COMBES, On a class of analytic perturbations of one body Schrödinger operators, Commun. Math. Phys., t. 22, 1971, p. 269-279.
[BB1] D. BABBITT and E. BALSLEV, A characterization of dilation-analytic potentials
and vectors, J. Funct. Anal., t. 18, 1975, p. 1-14.
[BB2] D. BABBITT and E. BALSLEV, Local distortion technique and unitarity of the
S-matrix for the 2-body problem, J. Math. Anal. Appl., t. 54, 1976, p. 316-347.
[B] E. BALSLEV, Local spectral deformation techniques for Schrödinger operators,
Mittag-Leffler preprint, 1982.
[BC] E. BALSLEV and J. M. COMBES, Spectral properties of Schrödinger Hamiltonians with dilation analytic potentials, Commun. Math. Phys., t. 22, 1971, p. 280-294.
[CL] E. A. CODDINGTON and N. LEVINSON, Theory of Ordinary Differential Equations, McGraw-Hill, 1955.
[C] J. M. COMBES, An algebraic approach to quantum scattering, 1969, unpublished manuscript.
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1977.
[J1] A. JENSEN, Local distortion technique, resonances and poles of the S-matrix,
J. Math. Anal. Appl., t. 59, 1977, p. 505-513.
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[J2] A. JENSEN, Resonances in an abstract analytic scattering theory, Ann. Inst.
H. Poincaré, t. 33, 1980, p. 209-223.
[Mo] E. MOURRE, Absence of singular spectrum for certain self-adjoint operators, Commun. Math. Phys., t. 78, 1981, p. 391-408.
[McCR] C. W. MCCURDY, Jr. and T. N. RESCIGNO, Extension of the method of complex
basis functions to molecular resonances, Phys. Rev. Lett., t. 41, 1978, p. 1364- 1368.
[N] J. NUTTALL, Analytic continuation of the off-energy-shell scattering amplitude,
J. Math. Phys., t. 8, 1967, p. 873-877.
[RS] M. REED and B. SIMON, Methods of Modern Mathematical Physics, I, II, IV, Academic Press.
[San] Sanibel WORKSHOP on Complex Scaling, 1978, in Int. J. Quant. Chemistry,
t. 14, 1978.
[Sig1] I. M. SIGAL, Scattering Theory for Many-Body Quantum Mechanical Sys- tems-Rigorous Results, Springer, Lecture Notes in Mathematics N1011, 1983.
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Math. Phys., t. 27, 1972, p. 1-9.
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(Manuscrit reçu le 20 septembre 1983)
Annales de l’Institut Henri Physique - theorique -