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PhysRevA 72 042711
PhysRevA 72 042711
Finite-size effects not only alter the energy levels of small systems, but can also lead to additional effective
interactions within these systems. Here the problem of low-energy quantum scattering by a spherically sym-
metric short-range potential in the presence of a general cylindrical confinement is investigated. A Green’s
function formalism is developed which accounts for the full three-dimensional 共3D兲 nature of the scattering
potential by incorporating all phase shifts and their couplings. This quasi-1D geometry gives rise to scattering
resonances and weakly localized states, whose binding energies and wave functions can be systematically
calculated. Possible applications include, e.g., impurity scattering in ballistic quasi-1D quantum wires in
mesoscopic systems and in atomic matter-wave guides. In the particular case of parabolic confinement, the
present formalism can also be applied to pair collision processes such as two-body interactions. Weakly bound
pairs and quasimolecules induced by the confinement and having zero or higher orbital angular momentum can
be predicted, such as p- and d-wave pairings.
tems. This is demonstrated in the s-wave approximation to tering properties of running waves. Weakly localized states
the scattering potential in 关13兴. Finite-range scatterers under are then found in the complex-energy plane.
general rectangular confinement are also considered, but in
an already reduced two-dimensional space 关14–16兴.
A. Hamiltonian under confinement
In this work, a detailed formalism is presented that ex-
tends the results for impurity scattering and collisions. It can Consider first the scattering of a single particle of mass
treat general cylindrical confinement, parabolic or not, and and coordinates r = 共x , y , z兲 by a central field fixed at the ori-
incorporate all scattering phase shifts beyond s waves, as gin. Let V共r兲 be the spherically symmetric scattering poten-
well as the full couplings of orbital angular momenta due to tial and U共兲 the cylindrically symmetric confining potential,
the broken spherical symmetry. A comprehensive assessment where = 共x , y兲 denotes the transverse coordinates. The
of the scattering process reveals the most important mecha- Hamiltonian is then given by
nisms and parameters at play. From this unified description,
CIRs are seen to be a general low-energy effect in quasi-1D
geometries. It might be useful, e.g., as an alternative gating ប2 2
H=− ⵜ + U共兲 + V共r兲. 共1兲
mechanism in low-power transistorlike devices that could 2
incorporate quasi-1D structures 关2,11–17,43兴. The existence
of weakly localized bound states and quasimolecules can, in
If RV and RU are the ranges of V共r兲 and U共兲, respectively,
turn, be extended to include higher orbital angular momen-
then 兩V兩 Ⰶ V0 for r Ⰷ RV and U Ⰶ U0 for Ⰶ RU, where V0 and
tum pairing, whose binding energies and wave functions can
U0 are characteristic energy scales, such as the respective
be systematically computed.
ground-state energies 共see Fig. 1兲. Two particular examples
This paper is organized as follows. In Sec. II the present
are the parabolic confinement U共兲 = ⬜ / 2, for which RU
2 2
problem of scattering in confined geometries is formulated
is of the order of the oscillator length a⬜ = 共ប / ⬜兲1/2 and
for scattering by both central fields and collision processes.
In Sec. III, the s-wave approximation to the scattering poten- the square well 共or hard wall兲 such that U共兲 → + ⬁ for
tial is briefly reviewed. In Sec. IV, after an overview of the 艌 RU and zero otherwise. The first condition on the scatter-
free-space scattering, our formalism in terms of Green’s ing and on the confining potentials assumed in this work is
functions and phase shifts is developed. In Sec V, this for- RV Ⰶ RU. In this sense, both the potentials V共r兲 and U共兲 can
malism is applied to analyze two types of confinement- be relatively general for this type of scattering process. This
induced effects, namely, CIR and weakly localized states. A condition implies that there is a distinct region RV Ⰶ r Ⰶ RU
discussion of the main approximations used is given in Sec. where spherical symmetry still prevails and one can define
VI, followed by the conclusions. scattering phase shifts. This is an 共intermediate兲 asymptotic
region, where the effect of the confinement U共兲 is felt only
as a boundary condition to the scattering by V共r兲 共see Sec.
II. SCATTERING IN LOW DIMENSIONALITY IV C兲. Figure 1 depicts the geometry of the problem. An-
other important condition for the validity of the present ap-
In a low-energy scattering process under confinement, one proach to scattering in confined geometries is the condition
expects the scattering potential to affect primarily the de- k ⬃ 1 / RU of low total scattering energy E ⬅ ប2k2 / 2 共or
grees of freedom not experiencing external confinement. The Fermi energy兲 for the Hamiltonian H. Only a few excited
other degrees of freedom are then forced to occupy only one transverse states n above the ground state 关see Eq. 共2兲兴 can
or very few confined states. However, the very existence of be effectively populated. The scattering process is thus as-
these confined states does play a role due to virtual transi- sumed to occur at low temperatures or under sufficiently
tions. The effects of the latter can become noticeable when tight confinement.
properly examining the unconfined degrees of freedom. In Alternatively, consider the case of collisions between,
this regard one is led to calculate effective scattering ampli- e.g., two cold atoms of masses m and coordinates ri
tudes as given by Eq. 共5b兲. = 共i , zi兲, i = 1 , 2. R = 共r1 + r2兲 / 2 and r = r1 − r2 denote the cen-
These amplitudes provide a complete description of the ter of mass 共c.m.兲 and relative coordinates, respectively. The
quasi-1D problem. For real energies, they describe the scat- total Hamiltonian is
042711-2
QUANTUM SCATTERING IN QUASI-ONE-DIMENSIONAL… PHYSICAL REVIEW A 72, 042711 共2005兲
center of the guide. Therefore Eq. 共1兲 is a starting point to the For a given total energy E, one defines the longitudinal wave
dynamics of the relative coordinates for a general interaction vectors kn by
再 冎
V共r兲, in which the c.m. fluctuations around the mean value
具R典 = 0 are at the present stage neglected. 冑k2 − q2n if 0 艋 n 艋 nE ,
Because of the symmetry of U共兲 + V共r兲, the scattering kn =
i冑q2n − k2 if n ⬎ nE ,
solutions can be restricted to be axially symmetric. The cor-
responding axially symmetric and orthonormalized eigen- where nE is the largest integer such that qnE ⬍ k ⬍ q1+nE and
states of the confined variables n共兲 , n = 0,1,2,…, satisfy
denotes the highest “open channel.” In the single-mode re-
冋 冉
−
ប2 2
+
2
2 x2 y 2
冊
+ U共兲 n共兲 = ⑀nn共兲 册 共2兲
gime nE = 0. As usual, the general solution n共z兲 can be ex-
pressed in terms of a homogeneous solution and a particular
inhomogeneous solution, f,n共z兲. This inhomogeneous solu-
where ⑀n ⬅ ប2q2n / 2 ⬎ 0 are the transversal energies, with tion can be written in terms of the 1D Green’s function
q 0 ⬃ 1 / R U.
eikn兩z兩
B. 1D scattering
Gn共z兲 = − , Gn⬙ + k2nGn = − ␦共z − z⬘兲,
2ikn
In a purely 1D problem let the 1D interaction potential
V1D共z兲 have the finite range R1D around the origin z = 0, such describing an outward scattering for n 艋 nE and an exponen-
that V1D ⬇ 0 for 兩z兩 Ⰷ R1D. The scattering problem for an in- tially decaying virtual state for the “closed channels” n
coming plane wave eik0z can be described by the amplitudes ⬎ nE. Then for all n
冕
f ± in the asymptotic behavior of the solution 共z兲 in the
transmission and reflection regions f,n共z兲 = − d3r⬘Gn共z − z⬘兲*n共⬘兲v共r⬘兲⌿共r⬘兲.
042711-3
KIM, SCHMIEDMAYER, AND SCHMELCHER PHYSICAL REVIEW A 72, 042711 共2005兲
f ±n ⬅
1
2ikn
冕 d3r⬘关e±iknz⬘n共⬘兲兴 v共r⬘兲⌿共r⬘兲,
*
共5b兲
only a single channel, i.e., bn = ␦0,n, new channels are occu-
pied due to scattering, if the total energy is large enough,
nE ⬎ 0. This conservation condition can serve then as a gauge
for forward z ⬎ 0 and backward z ⬍ 0 scattering, respectively. for the range of validity of our approximations to the ampli-
Note first that although 兩z兩 Ⰷ 兩z⬘兩, the phase knz⬘ in f ±n is not tudes f ±n .
necessarily negligible since kn兩z⬘兩 ⬃ 2 for sufficiently large
momentum kn and depending on the range RV of the interac-
III. SCATTERING IN THE s-WAVE APPROXIMATION
tion v共r⬘兲. This phase is negligible only when the wavelength
2 / kn of the incoming wave is not able to resolve the details In many circumstances, the low-energy scattering in free
of the potential v共r⬘兲 at low momenta. In this case, a zero- space can be well described by approximating the interaction
range or s-wave approximation to v共r⬘兲 is valid. However, V共r兲 by the Fermi-Huang zero-range potential 关44,45兴
this approximation should break down when the scattering
occurs at short wavelengths or when higher angular mo- 2 ប 2a
V␦共r兲 = ␦共r兲 共r · 兲. 共6a兲
menta become necessary. Note that there is no clearly de- r
fined 1D range R1D as in the purely 1D case, since the as-
ymptotics given by Eq. 共5a兲 depends on the convergence This approximation singles out the l = 0 angular momentum
behavior of the series in Eq. 共4c兲. If the convergence is slow, component of the collision and thus depends only on the
one expects an effective 1D range, say R1D ⬘ , substantially s-wave scattering length a. The regularization 共r · 兲 / r as-
larger than RV or even RU. It is an effective range for the 1D sures that the singularity 1 / r of the full scattering solution to
collision and is of the order of the minimum separation from this V␦共r兲 is properly dealt with.
the scattering center, such that Eq. 共5a兲 is the dominant con- For collisions in a strong parabolic confinement and using
tribution to the scattering wave function 共see Fig. 2兲. As Eq. 共6a兲, the series in Eq. 共4c兲 also has a singularity for short
regards collision processes, this effective range sets some distances r → 0 very similar to 1 / r. By properly dealing with
limits on the average equilibrium distance between the col- this singularity, with 关35兴 or without any regularization 关36兴,
liding particles. the amplitudes f ±n in Eq. 共5b兲 can be calculated. In the single-
The present formalism for quantum scattering under con- mode regime 共nE = 0兲 and for small longitudinal momenta k0
finement is approximate but nonperturbative, in the sense one obtains
that there is no small parameter around which an expansion
is performed. The determination of its range of validity is 1
f ±0 = − , 共6b兲
chosen here by imposing the conservation of probability on 1 + i关− 共a⬜
2
/2a兲共1 − Ca/a⬜兲兴k0
the final wave functions. The probability conservation con-
dition in 3D and the identity 兰⍀d3rdivj共r兲 = 兰Sc+S1+S2d2S · j共r兲 where C = 1.4603… and a⬜ is the harmonic oscillator length
for a volume ⍀ enclosed by a large cylinder of surface area of the parabolic confinement 关35,36兴. Here, a total reflection
Sc and by two transversal disks of surface areas S1 at z1 ⬍ 0 f +0 = −1 is predicted for large scattering lengths, on the order
and S2 at z2 ⬎ 0 yields of the confinement length, such that a⬜ = Ca, which is called
the confinement-induced resonance 关35兴. This total reflection
0= 冕 Sc
d dz 关ˆ · j共r兲兴 − 冕
S1
dx dy关k̂ · j共r兲兴
means that the colliding pair experiences a diverging effec-
tive 1D interaction along the longitudinal cylindrical axis
共see Sec. V D 1兲.
+冕 S2
dx dy关k̂ · j共r兲兴,
It will be seen later that such a singularitiy should actually
be the same singularity 1 / r. It arises from the 3D free-space
Green’s function and becomes dominant as r → 0 away from
where ˆ and k̂ are cylindrical unit vectors. Applying ⌿ the confining boundaries 共see Secs. IV B and VI兲. This latter
042711-4
QUANTUM SCATTERING IN QUASI-ONE-DIMENSIONAL… PHYSICAL REVIEW A 72, 042711 共2005兲
identification is one of the elements that will allow us to tion given by and at large distances r Ⰷ RV from the
incorporate all partial waves l 艌 1 besides the s wave. In scattering center. Using the expansion 兩r − r⬘兩 ⬃ r − r · r⬘ / r in
addition, the above conclusions concerning CIR under para- Eq. 共7b兲, Eq. 共7a兲 becomes
bolic confinement will be seen to hold not only for general
interactions V共r兲, as first examined in 关37兴, but also for gen- eikr e−ikr
⌽共r兲 ⬇ ⌽i共r兲 + f out + f in , r Ⰷ RV , 共8a兲
eral nonparabolic confinement U共兲. In this sense the present r r
formalism is of a more general character.
with
der to calculate the scattering amplitudes for any given finite where k ⬅ kr / r depends on the direction 共 , 兲 of r. It can be
short-ranged and spherically symmetric scattering potential
clearly seen that these amplitudes have a shape similar to
V共r兲. This is done by expressing the amplitudes f ±n in terms
their equivalent effective 1D amplitudes f ±n in Eq. 共5b兲. To
of the scattering phase shifts ␦l associated with this V共r兲. Our express the amplitudes in terms of the phase shifts an angular
formalism is also able to deal with a broad range of confine- momentum decomposition of f out,in is necessary. Following
ments U共兲 as well as scattering energies above the transver- standard procedures 关46,47兴, we obtain from Eq. 共8b兲
sal ground state. Particularly relevant is the straightforward
accounting of angular momenta couplings due to the con- ⬁
finement. We begin by providing the connection to scattering f out,in = − ␥± 兺 共⫿i兲l共2l + 1兲l Pl共cos 兲, 共9a兲
in free space. l=0
冕
⬁
where ⌽i共r兲 is the incoming state and G共r , r⬘兲 is the free- ⬁
space Green’s function. In terms of outward and inward scat- + 兺 共2l + 1兲共l⬘ + kl兲nl共kr兲Pl共cos 兲,
tered waves, the latter reads l=0
eik兩r−r⬘兩 e−ik兩r−r⬘兩 having used Eqs. 共7c兲 and 共9b兲, and the constants  and ⬘
G共r,r⬘兲 = ␥+ + ␥− , 共7b兲 are related to ⌽i共r兲. On the other hand, the phase shifts arise
4兩r − r⬘兩 4兩r − r⬘兩
when directly decomposing this same solution ⌽共r兲 in
for some constants ␥± obeying ␥+ + ␥− = 1. A single constant spherical coordinates and looking at the radial solutions out-
␥ can be introduced by setting side the interaction region r ⬎ RV,
1±␥ ⬁
␥± ⬅ . 共7c兲 ⌽共r兲 = 兺 cl关cos ␦l jl共kr兲 − sin ␦lnl共kr兲兴Pl共cos 兲.
2
l=0
In free-space scattering, the inward component proportional
to ␥− is usually absent 共i.e., ␥ = 1兲. However, one expects this Here the phase shifts ␦l are calculated from the behavior of
inflow of particles if there is, e.g., an exterior confinement the radial parts Rl共r兲 inside the scattering region r ⬍ RV only,
that forces the scattered particles back toward the center. irrespective of the details of the outer boundary conditions
This interpretation will be validated in Sec. IV B 共see also 关47兴. The boundary conditions are matched by properly
Fig. 2兲. ⌽i共r兲 and G共r , r⬘兲 are determined by the boundary choosing the constants cl, i.e., by superposing the spherical
conditions imposed on ⌽共r兲, e.g., that of an axially symmet- components. Comparing these last two forms of ⌽共r兲 yields
ric solution.
The scattering variables of interest here are the amplitudes l + i␥l⬘
cl = 共2l + 1兲 , 共10a兲
f out,in of outward and inward waves, scattered along a direc- cos ␦l − i␥ sin ␦l
042711-5
KIM, SCHMIEDMAYER, AND SCHMELCHER PHYSICAL REVIEW A 72, 042711 共2005兲
l =
1 l sin ␦l + l⬘ cos ␦l
k cos ␦l − i␥ sin ␦l
, l = 0,1,…. 共10b兲 Gc共r,r⬘兲 ⬇ 冕 d⬘
2
G共r,r⬘兲 + ⌬c共r,r⬘兲, r,r⬘ Ⰶ RU ,
冉 冊
spherical symmetry prevails over the cylindrical one due to
the main assumption of a short-range scattering potential 3
qn ⬇ n + , n ⬎ nE . 共13b兲
v共r兲 and a confining potential u共兲 that is sufficiently flat at 4 RU
the center, RV Ⰶ RU. Such a series allows then the straightfor-
The corresponding energy dispersion relation ⑀n ⬃ n2 is qua-
ward introduction of the phase shifts.
dratic with respect to n compared to the linear one ⑀n ⬃ 2n
Consider the solution ⌿ to Eq. 共4a兲 given by the expan-
for, e.g., 2D harmonic oscillators 共see, e.g., 关35兴兲. This
sion in Eq. 共4c兲. One can rewrite Eq. 共4c兲 in the integral form
should not cause any confusion since this excited spectrum
关keeping again the ⬘ integration as in Eq. 共9b兲 for conve-
n ⬎ nE is summed over in Eq. 共11c兲 and leads to the
nience兴
confinement-independent free-space Green’s function G in
Gc共r,r⬘兲 = 兺 n共兲*n共⬘兲Gn共z − z⬘兲. 共11c兲 where ␦qn = / RU is the increment of qn and we used
n=0
兩J1共rn+1兲兩2 = 2 / qnRU. For r , r⬘ Ⰶ RU a continuum approxima-
It is convenient to introduce a non-axially-symmetric tion to the closed-channel series can now be applied. Sepa-
Green’s function Gu under the confining potential u共兲. This rating the real and imaginary parts of Gc 关supposing n共兲
Gu then satisfies 关ⵜ2 − u共兲 + k2兴Gu共r , r⬘兲 = −␦共r − r⬘兲. If the real for n 艋 nE without much loss of generality兴 gives
-independent solution ⌿共r兲 is written as an integral equa-
cos共冑k2 − q2n兩z − z⬘兩兲
nE
tion using this -dependent Gu, it follows from comparison Gc共r,r⬘兲 ⬇ i 兺 n共兲n共⬘兲
with the integral equation Eq. 共11a兲 that Gc and Gu are re- n=0 2冑k2 − q2n
lated by 2Gc共r , r⬘兲 = 兰d⬘Gu共r , r⬘兲. Compare now the dif-
sin共冑k2 − q2n兩z − z⬘兩兲
nE
− 兺 n共 兲 n共 ⬘兲
ferential equation of Gu and that of the free-space Green’s
function G of Eq. 共7b兲 in the region of the scattering poten- n=0 2冑k2 − q2n
tial such that r , r⬘ Ⰶ RU. Since u共兲 ⬇ 0 by assumption, they
冕
冑
⬁
e− q −k 兩z−z⬘兩
2 2
should differ at most by a homogeneous term, say ⌬u, so that q dq
+ J0共q兲J0共q⬘兲
Gu共r , r⬘兲 ⬇ G共r , r⬘兲 + ⌬u共r , r⬘兲, for r , r⬘ Ⰶ RU, where ⌬u satis-
q1+n 4 冑q2 − k2 ,
fies the homogeneous equation 共ⵜ2 + k2兲⌬u共r , r⬘兲 = 0 and we E
obtain 共14兲
042711-6
QUANTUM SCATTERING IN QUASI-ONE-DIMENSIONAL… PHYSICAL REVIEW A 72, 042711 共2005兲
冕
where q1+nE ⬎ k designates the transversal momentum of the 冑
e− q −k 兩z−z⬘兩
q1+n 2 2
E q dq
⌬c共r,r⬘兲 = − J0共q兲J0共q⬘兲
first “virtual” or closed channel n = 1 + nE. As for G, one uses
now the identity 关46兴 k 4 冑q2 − k2
eik兩r−r⬘兩
4兩r − r⬘兩
⬁
= − 兺 共2 − ␦0,m兲cos关m共 − ⬘兲兴
+ 冉冕 k
0
dp̄
4
J0共q̄兲J0共q̄⬘兲sin共p̄兩z − z⬘兩兲
冊
m=0
nE
sin共kn兩z − z⬘兩兲
冕
冑
⬁
ei k −q 兩z−z⬘兩 − 兺 n共 兲 n共 ⬘兲
2 2
q dq ,
⫻ Jm共q兲Jm共q⬘兲 , 2kn
i冑k2 − q2
n=0
0 4
where kn = 冑k2 − q2n and q̄ ⬅ 冑k2 − p̄2. The first term on the
and the correct branch 0 艋 arg冑k2 − q2 ⬍ / in order to obtain
RHS stems from the offset between the lower limits of inte-
for the integrated free-space Green’s function
gration q1+nE and k in Eqs. 共14兲 and 共15兲, respectively. It
冕 d⬘
2
G共r,r⬘兲
accounts for the discreteness of the low-lying transversal
states due to the confinement. The second term in the large
parentheses is of order 共k2 / 8 − 兺n=0 nE
N2n / 2RU2
兲兩z − z⬘兩 and
= i␥ 冕
k
0
q dq
4
J0共q兲J0共q⬘兲
cos共冑k2 − q2兩z − z⬘兩兲
冑k2 − q2
thus is relatively smaller by a factor of 兩z − z⬘兩 / RU compared
to the first term, whose order of magnitude 共q1+n
− k 兲 / 4 ⬃ 1 / RU can be estimated by calculating the inte-
2 1/2
2
E
− 冕 k
q dq
4
J0共q兲J0共q⬘兲
sin共冑k2 − q2兩z − z⬘兩兲
冑k2 − q2
gral for r , r⬘ ⬃ 0. Neglecting this second term yields
冕
0 pc
dp
⌬c共r,r⬘兲 = − J0共q兲J0共q⬘兲e−p兩z−z⬘兩 , 共16b兲
+ 冕
k
⬁
q dq
4
J0共q兲J0共q⬘兲
e
冑q2 − k2 .
−冑q2−k2兩z−z⬘兩
共15兲
0 4
042711-7
KIM, SCHMIEDMAYER, AND SCHMELCHER PHYSICAL REVIEW A 72, 042711 共2005兲
⬁ into Eq. 共12兲, the scattering solution ⌿共r兲 in Eq. 共11a兲 be-
e iknz
n共兲 = 兺 il共2l + 1兲␣ln jl共kr兲Pl共cos 兲, 共17兲 comes for RV Ⰶ r Ⰶ RU
l=0
⬁
where ␣ln ⬇ Nn Pl共kn / k兲 / 1/2RU. For more quantitative re- ⌿共r兲 ⬇ 兺 il共2l + 1兲关␣l + ␥l共z兲 − i␥kTl兴jl共kr兲Pl共cos 兲
sults, these coefficients ␣ln can be evaluated numerically l=0
from the exact eigenfunctions n共兲. One can then express ⬁
the amplitudes f ±n in Eq. 共5b兲 as the following series in an- + 兺 il共2l + 1兲关kTl兴nl共kr兲Pl共cos 兲, 共21兲
gular momenta for n 艋 nE: l=0
having used the parity property Pl共−x兲 = 共−1兲 Pl共x兲. The “ma- l
共18a兲
␥l共z兲 ⬅ 冕 冕 0
pc
dp
4
d3r⬘ Pl共zz⬘ip/k兲
trix” element Tl is defined by
⫻ 关ezz⬘pz⬘J0共q⬘兲兴v共r⬘兲⌿共r⬘兲.
Tl ⬅ l
1
i 4
冕 d3r⬘关jl共kr⬘兲Pl共cos ⬘兲兴v共r⬘兲⌿共r⬘兲. 共18b兲 The z dependence of this ␥l共z兲 arises from the sign of zz⬘ in
⌬c. Because of this z dependence, the above decomposition
The nonzero momenta l 艌 1 contributions to f ±n stem from the of ⌿共r兲 is not fully spherically symmetric. It reflects the fact
共small兲 dependence on z⬘ and ⬘ of the integrand in the defi- that an approximate radial solution on the left side of the
nition of f ±n . Their neglect amounts to assuming a pointlike guide at some z1 = −兩z0兩 need not coincide necessarily with
zero-range interaction v共r兲, for which only the s wave re- one on the right side at z2 = 兩z0兩 since the problem has no
mains. In the free-space scattering case, the corresponding perfect spherical symmetry.
quantity equivalent to this Tl is l given in Eq. 共9b兲. The key A better understanding of the role of this ␥l共z兲 arises when
difference now is that each Tl will depend on all other Tl’s, one tries to write it in terms of the Tl’s that determine the
meaning that the confined scattering solution ⌿共r兲 in the amplitudes f ±n in Eq. 共18a兲 and the solution in Eq. 共21兲. Ex-
definition of Tl couples the angular momenta, while the free- panding ezz⬘pz⬘J0共q⬘兲 共see above兲 in the integrand in the
space solution ⌽共r兲 in the definition of l does not. definition of ␥l共z兲 one obtains
The next step is to relate the Tl to the phase shifts ␦l. From
冉冕 冊
⬁
the results in Eqs. 共16兲 for the approximation Eq. 共12兲, the pc
Green’s function Gc can be decomposed into spherical coor- ␥l共z兲 = 兺 共2s + 1兲 dp Pl共ip/k兲Ps共ip/k兲
dinates in the region r⬘ , r Ⰶ RU by separately decomposing G s=0 0
冕
⬁
d⬘
G共r,r⬘兲 = ik 兺 jl共kr⬘兲关␥ jl共kr兲 + inl共kr兲兴 assuming the summation and integration can be interchanged
2 l=0 共see Sec. V C兲. If it happened that 共zz⬘兲l+s = 1, then ␥l共z兲
would be a linear sum of the elements Ts and the scattering
2l + 1
⫻ Pl共cos 兲Pl共cos ⬘兲, 共19兲 solution in Eq. 共21兲 would have spherical symmetry. Such a
4 constant ␥l共z兲 could be possible if one could neglect in the
having used the expansion of e±ik兩r−r⬘兩 / 4兩r − r⬘兩 in spherical series for ␥l共z兲 terms for which the parity of Ps is different
harmonics and ␥± = 共1 ± ␥兲 / 2. To evaluate ⌬c we use the ana- from that of Pl, such that for each l, only terms satisfying l
+ s=even would be retained. This condition can be related to
lytic continuation ¯ = / 2 − i⬘ of the first identity of this the fact that the confining potential u共兲 only couples angular
section to obtain momenta with the same parity, in the sense that 具l兩û 兩 s典
⬁ ⬅ 兰d⬘sin共⬘兲Pl共cos ⬘兲u共r sin ⬘兲Ps共cos ⬘兲 = 0 if l + s = odd.
e−pzJ0共q兲 = 兺 关il共2l + 1兲Pl共ip/k兲兴jl共kr兲Pl共cos 兲, Therefore, a consistent approximation to the scattering solu-
l=0 tion ⌿共r兲 is found if one neglects odd-parity combinations in
where p = k sinh ⬘ and q = k cosh ⬘ such that k2 = q2 − p2. the series defining ␥l共z兲 and sets ␥l共z兲 ⬇ ␥l, such that
冉冕 冊
The expansion of ⌬c in Eq. 共16b兲 for r , r⬘ Ⰶ RU can then be pc/k
written as ␥l共z兲 ⬇ ␥l ⬅ 兺 共2s + 1兲 k dx Pl共ix兲Ps共ix兲 Ts
冉冕 冊
⬁ pc s关l兴 0
dp
⌬c共r,r⬘兲 = − 兺 Pl共zz⬘ip/k兲ezz⬘pz⬘J0共q⬘兲 ⬅ 兺 共2s + 1兲PlsTs, l = 0,1,2,…, 共22兲
l=0 0 4
s关l兴
⫻il共2l + 1兲jl共kr兲Pl共cos 兲, 共20兲
where s关l兴 denotes the sum over even 共odd兲 s for even 共odd兲
where zz⬘ ⬅ sgn共z − z⬘兲. Inserting Eqs. 共19兲 and 共20兲 back l.
042711-8
QUANTUM SCATTERING IN QUASI-ONE-DIMENSIONAL… PHYSICAL REVIEW A 72, 042711 共2005兲
Using Eq. 共22兲, the scattering phase shifts ␦l can now be V. CONFINEMENT-INDUCED EFFECTS
introduced, since the expansion in Eq. 共21兲 becomes spheri-
cally symmetric. Indeed, this expansion can be conveniently We now use the above formalism to analyze confinement-
rewritten by the introduction of constants cl⬘ and ␦l defined, induced phenomena that occur both in the scattering by a
for the moment, by 共l = 0, 1, 2,…兲 central field and in collision processes. Although related to
each other, two important phenomena can be distinguished:
cl⬘ cos ␦l ⬅ il共2l + 1兲共␣l + ␥l − i␥kTl兲, 共23a兲 resonant scattering 共Sec. V B and V D兲 and weakly localized
states induced by the confinement 共Sec. V E兲. In the present
paper, our formalism is focused on the single-mode regime.
cl⬘ sin ␦l ⬅ − il共2l + 1兲kTl , 共23b兲 It is shown also that previous results of atom-atom collisions
under parabolic confinement are recovered, regarding not
such that our solution has the form only the scattering resonances 关35–37兴 but also the
⬁
confinement-induced weakly bound states 关38兴. CIRs in
atomic collisions involving excited transversal states at ener-
⌿共r兲 ⬇ 兺 cl⬘关cos ␦l jl共kr兲 − sin ␦lnl共kr兲兴Pl共cos 兲. 共24兲 gies k2 ⬎ q21 are treated in 关36兴 for interactions in the s-wave
l=0
approximation and in 关37兴 for general V共r兲. See also inde-
In order to identify the ␦l, one notes, on one hand, that this pendent related works for 2DEG mesoscopic systems
wave function ⌿共r兲 can be directly obtained as a spherically 关13–16兴.
symmetric series ⌺lclRl共r兲Pl共cos 兲 in the region r Ⰶ RU,
where u共兲 is negligible, if one solves the Schrödinger equa- A. Single-mode regime
tion moving outward from the origin r = 0 共see Fig. 2兲. The
radial part Rl can then be separately determined and for RV In this regime, the total scattering energy E = ប2k2 / 2 al-
Ⰶ r Ⰶ RU it should be given by Eq. 共24兲, provided one lows for only the transversal ground state 0共兲 to be effec-
chooses cl = cl⬘. On the other hand, the solution for the scat- tively occupied k2 = q20 + k20 ⬍ q21, i.e., to be an open channel.
tering potential v共r兲 without confinement is given by a series All excited states can only be virtually populated due to the
with the same radial parts Rl but different constants cl ⫽ cl⬘ scattering of the incoming state. Then nE = 0 and bn = ␦n,0. In
共see Sec. IV A兲. The asymptotics of Rl in this free-space case terms of the even f 0g and odd f 0u angular momenta decom-
is then also given by Eq. 共24兲 so that ␦l are indeed the phase position of f ±0 given in Eq. 共18a兲, namely, f ±0 = f 0g ± f 0u, the
shifts of the unconfined scattering problem. The difference current conservation can be written as
between the confined and free-space solutions, in the region
RV Ⰶ r Ⰶ RU, is thus accounted for by the different constants 共Re兵f 0g其 + 兩f 0g兩2兲 + 共Re兵f 0u其 + 兩f 0u兩2兲 = 0. 共26兲
cl⬘ and cl, respectively, related to distinct boundary condi-
A suitable parametrization of f 0g,u is obtained by introducing
tions. Besides, ␦l depends solely on the solution of Rl in the
1D scattering parameters ␦g and ␦u, such that 关48兴
interior region r ⬍ RV 关47兴. The above defining relations for
cl⬘ and ␦l in Eqs. 共23兲 are then equations that determine cl⬘
1
and Tl in terms of ␦l, namely, f 0g ⬅ − , 共27a兲
1 + icot␦g
共2l + 1兲共␣l + ␥l兲il ␣l + ␥l
cl⬘ = , Tl = ,
cos ␦l − i␥ sin ␦l i␥k − k cot ␦l 1
f 0u ⬅ − . 共27b兲
1 + icot␦u
Finally, using Eq. 共22兲 one obtains the matrix equation relat-
ing Tl to the full ensemble of 3D free-space scattering phase
In this form, Eq. 共26兲 is verified if ␦g,u are arbitrary real
shifts ␦l 共l = 0, 1, 2,…兲
numbers, since then Re兵f 0g,u其 + 兩f 0g,u兩2 = 0 vanishes separately.
There is by now no a priori reason for the parameters ␦g,u to
共i␥k − k cot ␦l兲Tl = ␣l + 兺 共2s + 1兲PlsTs . 共25兲 be both real. However, in the case of general potentials v共r兲
s关l兴
and u共兲 considered in this work, it will be seen in the next
The coupling of angular momenta brought about by the con- sections that Eqs. 共27兲 with real ␦g,u provide a valuable
finement is a result of ⌬c, which accounts for the confining means to establish the boson-fermion and fermion-boson
geometry and the discreteness of the low-lying transversal mappings as well as the conservation condition Eq. 共26兲.
states that should be resolved at low energies. The main
equations that allow us the analysis of the effective 1D scat- B. Boson-fermion and fermion-boson mappings
tering in confined geometries are Eqs. 共5兲, 共18a兲, and 共25兲.
The probability conservation condition Eq. 共5c兲 serves to Consider now a collisional process between identical par-
gauge the range of validity of the results. Although the above ticles. It is convenient to split ⌿共r兲 into symmetric
result is enough to present the formalism, improvements to g共z兲0共兲 and antisymmetric u共z兲0共兲 parts, with respect
Eq. 共25兲 can be systematically made if necessary, e.g., by to r → −r:
better dealing with the poles qn in Eq. 共16a兲 and the constants
␣ l. ⌿共r兲 = 共eik0z + f ±0 eik0兩z兩兲0共兲 = 关g共z兲 + u共z兲兴0共兲,
042711-9
KIM, SCHMIEDMAYER, AND SCHMELCHER PHYSICAL REVIEW A 72, 042711 共2005兲
⬘ .
兩z兩 ⬎ R1D mapping of fermionic eigenstates under longitudinal confine-
ment was first verified numerically in 关37兴 for the collision
g共z兲 and u共z兲 can be deduced by using the form Eq. 共18a兲 interaction V共r兲 = d / cosh共r / b兲2.
for the amplitude f ±0 in terms of its even f 0g and odd f 0u Note that, if one is not restricted to the case of collisions,
sectors. For the symmetric part, we obtain this result can be formally quite general regarding not only
g共z兲 = 共1 + f 0g兲cos共k0z兲 + if 0gsin共k0兩z兩兲 the interaction potential v共r兲, but also some sufficiently flat
transversal and longitudinal confinements.
= ei␦gcos共k0兩z兩 + ␦g兲, ⬘ ,
兩z兩 ⬎ R1D 共28a兲
where Eq. 共27a兲 has been employed. The antisymmetric part C. The effective amplitude f±0
is given by
The considerations in the preceding section assumed the
u共z兲 = i共1 + f 0u兲sin共k0z兲 ± f 0ucos共k0z兲 general form Eqs. 共27兲 for f 0g,u. In this section, f ±0 is explic-
itly calculated by solving the matrix equation Eq. 共25兲 for the
= iei␦usin共k0z ± ␦u兲, ⬘ ,
兩z兩 ⬎ R1D 共28b兲
elements Tl. From k ⬃ 1 / RU, it follows that kRV ⬃ RV / RU
where the plus 共minus兲 sign in u共z兲 refers to z ⬎ 0共z ⬍ 0兲 Ⰶ 1, which is the condition of low scattering energy in 3D
and Eq. 共27b兲 has been used. free-space scattering and the phase shifts
If the colliding particles are, e.g., spin polarized ⌿共r兲
tan ␦l = tan ␦l共k兲 ⬃ k2l+1 ⬃ 1/RU
2l+1
must be 共anti兲 symmetrized. For bosons, the correct effective
1D scattered wave function in the asymptotic region 兩z兩 are generally small 关47兴 for large RU 共or small RV兲. One
⬎ R1D ⬘ is g共z兲. The resonance condition can be identified as expects then that orbital angular momenta higher than the
f 0g = −1 or ␦g = 兩 / 2兩 and it follows from Eq. 共28a兲 that the leading contributions, e.g., the s and p waves, should not
wave function becomes g共z兲 = −isin共k0兩z兩兲, which is with re- significantly change the main features arising from the latter.
spect to its modulus the wave function of a pair of noninter- Indeed, the calculation of f 0g and f 0u can be done separately,
acting fermions, as can be seen by setting f 0u ⬅ 0 共or ␦u ⬅ 0兲 since the even and odd angular momenta in Eq. 共25兲 are
in Eq. 共28b兲. This is the well known fermionic mapping of uncoupled from each other. In the single-mode regime, Eq.
strongly interacting, inpenetrable bosons in 1D 关25–27,29兴. 共16a兲 becomes ␥ = 2 / dU2
kk0 and dU ⬅ RU / N0, where k0 = 共k2
The bosons would not be allowed to be located at the same − q0兲 and f 0 in Eq. 共18a兲 depends only on the ratio tl
2 1/2 ±
position z = 0, supposing the asymptotic solution Eq. 共28a兲 ⬅ Tl / k0. The matrix equation Eq. 共25兲 in this case can be
could be extended toward the origin 兩z兩 Ⰶ R1D ⬘ . rewritten in terms of these tl. Thus for all l,
For fermions, a reciprocal mapping exists at resonance
兵2i − 关k cot ␦l + 共2l + 1兲Pll兴dU
2
k0其tl
f 0u = − 1 or ␦u = 兩/2兩. 共29兲
From Eq. 共28b兲, the wave function becomes u共z兲
= ␣ ld U
2 2
+ k 0d U 兺
s关l兴⫽l
共2s + 1兲Plsts ,
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QUANTUM SCATTERING IN QUASI-ONE-DIMENSIONAL… PHYSICAL REVIEW A 72, 042711 共2005兲
f 0g ⬅ 兺
⬁
l=0,2,…
4共2l + 1兲␣l0
2i
tl P00 = k 冕 0
pc/k
dx P0共ix兲P0共ix兲 = 冑q21 − k2 , 共32兲
taining other angular momenta. The present uncoupled solu- Recalling that f ±0 ⬇ f 0g, since f 0u ⬇ 0 for such small mo-
tion to tl should then be a good approximation. The second menta 兩k0兩 关see Eqs. 共30兲兴, this result implies that the scatter-
region is at relatively large momenta, when 3关P1共k0 / k兲兴2 ing can be described by means of an effective 1D interaction
⬃ 1, i.e., when potential V1D共z兲 of zero range,
042711-11
KIM, SCHMIEDMAYER, AND SCHMELCHER PHYSICAL REVIEW A 72, 042711 共2005兲
2. Odd angular momenta This confined localized state with energy EB satisfies Eq.
For odd angular momenta, the procedure is similar to the 共4a兲 with k2 replaced by 2EB / ប2. This replacement is
previous analysis. The antisymmetric part u共u兲 shows a equivalent to redefining k0 to be the imaginary number k0B
scattering resonance when the associated amplitude f 0u = −1. ⬅ ± i共q20 − 2EB / ប2兲1/2. Since the wave eik0Bz should be ab-
At this resonance, the system can be mapped to a noninter- sent from the solution ⌿ and eik0B兩z兩 should show a bound-
acting symmetric wave function as discussed in connection state-like exponential decay, 1 / f ±0 共k0B兲 must vanish at a posi-
with Eq. 共29兲. The term P11 is given in Eq. 共22兲, from which tive imaginary value of k0B, such that the interaction part
the actual condition of CIR in the amplitude f 0u in Eq. 共30b兲 eik0B兩z兩 outweighs eik0Bz. Let then k0B ⬅ ixB / a, so that xB ⬎ 0 if
can be worked out for given scattering and confining poten- a ⬎ 0 and xB ⬍ 0 if a ⬍ 0. In terms of this xB , EB can be re-
tials. Note that due to the factor 3关P1共k0 / k兲兴2 in the numera- written as
tor of Eq. 共30b兲, the odd component f 0u is nonnegligible only
at relatively large longitudinal momenta 兩k0兩 ⬃ 1 / RU, in con-
trast to the even amplitude f 0g discussed above.
EB ⬅ 冉
ប2 2 xB2
q −
2 0 a2
, 冊 axB ⬎ 0. 共35兲
For atom-atom collisions under parabolic confinement, From Eqs. 共30兲, a root of 1 / f ±0 arises either from the even
the existence of CIR beyond the s wave was first predicted sector 1 / f 0g or from the odd sector 1 / f 0u. In order to recover
by neglecting couplings to orbital angular momenta and iso- the l = 0 free-space state EBf , this root should come from the
lating a single partial wave l ⬎ 0 and its phase shift ␦l as the even sector Eq. 共30a兲. Using then the substitution k2
sole dominant contribution 关37兴. A direct consequence of → 2EB / ប2 = q20 − xB2 / a2 in the expression Eq. 共32兲 for P00,
contributions from nonzero partial waves l ⬎ 0 is, among oth- the equation for xB becomes
冋 册
ers, the possibility to define effective p-wave zero-range
scattering potentials analogous to V␦共r兲 and V1D共z兲, but 2s2 + 1 −
a
冑共sC⬘兲2 + xB2 xB = 0, s⬅
a
, 共36a兲
which act only on antisymmetric wave functions of a collid- 兩a兩 dU
ing pair 关50,51兴.
where 兩a兩 arises as 1 / a2 is taken out of the square root in P00.
Another enlarged form is the quartic equation
E. Weakly bound states xB4 + 共C⬘2s2 − 1兲xB2 − 4s2xB − 4s4 = 0. 共36b兲
In addition to CIR, a second effect of strong cylindrical For each 兩s兩, one should pick up the correct positive 共nega-
confinement is the prediction of weakly bound and localized tive兲 root xB if s ⬎ 0共s ⬍ 0兲, as indicated in Eq. 共35兲.
states. For atom-atom collisions this implies the formation of
The weak confinement limit is 兩s兩 → 0. A finite root xB ⬇
quasimolecules. As first shown in 关38兴 for zero-range atom-
+ 1 exists only for a ⬎ 0 as can be seen from Eq. 共36a兲. This
atom interactions under parabolic confinement, these bound
means that EB ⬇ EBf , when RU → ⬁ or when a → 0+ as ex-
states exist even when no bound state occurs in free space.
pected. For a ⬍ 0, a trial Taylor expansion xB ⬇ x1s + x2s2 in
They have recently been observed in optical traps loaded
Eq. 共36b兲 yields x1 = 0 and x2 = −2. A localized state with
with 40K atoms 关32兴. Similar bound states localized around
energy
冉 冊
impurities are found in independent studies of mesoscopic
systems 关13–16兴. In this section, a localized state for general a 4
trap, the tail of its wave function e−Bf r is changed to vanish For a parabolic guide dU = a⬜ 关see Eq. 共16a兲 with the exact
at a finite distance from the origin, i.e., at the edge r = value 兩n共0兲兩2 = 1 / a⬜
2
兴. Then C⬘ = 2 and q0a⬜ = 冑2, both ob-
= RU of the guide when 兩a兩 ⬃ RU 共see Fig. 1兲. This lateral tained by directly using the exact energies ⑀0 ⬅ ប2q20 / 2
squeeze lifts EBf ⬍ 0 by an amount ⑀0. It can be sufficient for = ប⬜ and ⑀1 ⬅ ប2q21 / 2 = 3ប⬜ in terms of ⬜. Hence EB
this state to pass the threshold without confinement E = 0 as = 共2 − 冑2兲⑀0 = 0.586⑀0 in good quantitative agreement with
RU decreases further. 关32,38兴. For square-well confinement, it follows from Eqs.
042711-12
QUANTUM SCATTERING IN QUASI-ONE-DIMENSIONAL… PHYSICAL REVIEW A 72, 042711 共2005兲
e−r/a
⌿B共r兲 ⬀ − , a/dU → 0+ .
r
For negative scattering length a / dU → 0−, the free-space “vir-
tual” bound state turns into a real one whose energy was
calculated in the previous section, EB ⬇ ⑀0 − 4共a / dU兲4兩EBf 兩.
The wave function Eq. 共37b兲 becomes instead
1
⌿B共r兲 ⬀ − j0共q0r兲 + q0n0共q0r兲, a/dU → 0− .
兩a兩
On the opposite limit of strong confinement 兩a兩 / dU → ⬁ , EB
tends to a positive fraction of ⑀0, and the wave function
becomes a superposition of both terms j0共冑q0r兲 and
n0共冑q0r兲.
冉冑 冊
2 and in the correction term ⌬c共r , r⬘兲, which introduce renor-
2/dU
⌿B共r兲 ⬀ q21 − B2 − j0共Br兲 + Bn0共Br兲, malizations and couplings of orbital angular momenta not
冑q20 − B2 accounted for by G共r , r⬘兲 alone.
共37b兲 For a more quantitative analysis, consider the specific
case of atom-atom collisions in the low-energy s-wave ap-
proximation and under parabolic confinement 关35,36,38兴. As
where B2 ⬅ 2EB / ប2 and EB is given in Eq. 共35兲. For EB discussed in Sec. III, the discrete summation over the trans-
⬍ 0, it can be seen that both imaginary values of B yield the versal states can be dealt with in order to extract the singu-
same result. In particular, the free-space bound state is recov- larity of the scattering solution and to determine the value of
ered in the limit a / dU → 0+. Using EB ⬇ EBf ⬇ −ប2 / 2a2 in the constant C = 1.4603… in the effective scattering ampli-
Eq. 共37b兲, one has tude f ±0 . On the other hand, the corresponding value of C in
042711-13
KIM, SCHMIEDMAYER, AND SCHMELCHER PHYSICAL REVIEW A 72, 042711 共2005兲
the continuum limit for this case is C ⬅ lims→⬁共兰s0ds⬘ / 冑s⬘ can be applied to impurity scattering in mesoscopic 2DEG
− 兺ss⬘=11 / 冑s⬘兲 ⬇ 兰10ds⬘ / 冑s⬘ = 2 关see Eq. 共9兲 of 关35兴兴, in agree- systems and two-body collisions. Following the reasoning
ment with C⬘ = 2 calculated in Sec. V E. This value C⬘ = 2 related to Eq. 共12兲 one expects to be able to treat noncylin-
arises by using the exact harmonic oscillator energies ⑀0 drical geometries and quasi-2D scattering in an analogous
= ប⬜ and ⑀1 = 3ប⬜. It can be improved on by, e.g., numeri- way. By computing then a few coefficients and functions
cally computing ⌬c. As already pointed out in Sec. IV B, the such as ␣ln and ⌬c 共or ⌬u兲 and only the lowest eigenstates of
exact excited spectrum ⑀n ⬃ 2n is substantially different from the confining potential, reasonable numerical results are also
the flat potential approximation given in Eq. 共13b兲. However, possible. Scattering resonances such as total reflexion, as
the discrete sum over this exact parabolic spectrum can be well as weakly localized states, can be determined. For the
shown 关35,36兴 to have an equal singular behavior 1 / 兩z兩 as in particular case of parabolic confinement, the formalism pre-
free space 共see Sec. III兲. Hence also within the discrete ap- sented here can also be used to obtain, e.g., confinement-
proach, this demonstrates the major role played by the lowest induced two-body weakly bound states. Of particular interest
transversal states, whereas the sum over the excited states is the study of the poles of the scattering amplitude which
turns out to be qualitatively confinement independent. correlate with orbital angular momenta beyond s waves and
how nonparabolic geometries can affect these unconven-
VII. CONCLUSIONS AND PERSPECTIVES
tional pairings due to couplings to the center-of-mass coor-
dinates.
An analytical treatment of quasi-1D quantum scattering
by spherically symmetric and short- but finite-range poten- ACKNOWLEDGMENTS
tials in general cylindrical confinement is developed. The full
scattering wave function is calculated nonperturbatively J.I.K. appreciates financial support from the Conselho Na-
without partially resuming perturbative series. All phase cional de Desenvolvimento Científico e Tecnológico 共CNPq兲
shifts of the scattering potential can be readily incorporated. and the Alexander von Humboldt Foundation 共AvH兲. J.S.
This formalism provides a unified physical picture of the thanks the DFG Schwerpunktprogramm “Wechselwirkung in
process of confined quasi-1D scattering at low energies and Ultrakalten Atom- und Molekülgasen” for financial support.
关1兴 International Technology Roadmap for Semiconductors 共ITRS兲 关17兴 K. M. Indlekofer, J. Knoch, and J. Appenzeller, e-print cond-
Annual Reports 2005 共available at http://public.itrs.net兲. mat/0504746.
关2兴 See, e.g., Ref. 关1兴, section called “Emerging Research De- 关18兴 Z. Tesanovic, M. V. Jaric, and S. Maekawa, Phys. Rev. Lett.
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