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TMP BA1 C
TMP BA1 C
I. INTRODUCTION ics that generally spreads much faster than CW [15] (al-
though in certain situations anomalous sub-diffusive be-
Generally speaking, quantum walks (QW) represent havior may also emerge [29]). As a consequence, one gets
unitary evolutions taking place in discrete spaces – exponentially faster hitting times from QW [1, 30, 31],
graphs – for which typical basis states are localized. one of the reasons why QW are particularly suitable [32]
There are several ways to formulate QW, either consid- to solve searching problems [27, 33]. Also, different dif-
ering time as a continuous (CTQW) [1, 2] or a discrete fusion processes, from ballistic to Anderson localization
variable. In the latter case, the two major formulations [34, 35], are possible when decoherence is included.
are the (a) coined QW (CQW), based on inner “coin”
states (see, e.g., [3]), and (b) scattering QW (SQW), re- Since interference is fundamental to explain different
lying on the idea of multi-port interferometers [4, 5]. The phenomena observed in QW [36] (including many of the
continuous time and coined QW are directly related as a applications mentioned above) it is desirable to have a de-
limit process [6], whereas the CQW and SQW have been scription emphasizing the path-like character of QW. In
shown to be unitarily equivalent in arbitrary topologies this respect Green function methods are particularly use-
[7]. ful [37–39]. Then, here we develop a full Green function
Quantum walks originally emerged [8] from the interest approach for QW in arbitrary topology and for position
to construct and understand quantum analogs of classi- dependent quantum amplitudes. For so, we assume the
cal random walks (CW). But soon it was realized they very appropriate discrete scattering formulation, SQW.
also would constitute powerful tools in quantum compu- We should observe there are few interesting works (e.g.,
tation [9], specially given that QW can represent univer- Refs. [40–42]) addressing the classification of trajectories
sal quantum computation primitives [10]. In fact, for a in QW. They, nevertheless, are based mostly on combi-
long time CW have been used to solve different computa- natorial analysis to compute all the possible final states
tional problems [11]. Thus, the connections between the at a time t = n. Our proposed construction thus is much
quantum and classical walks [12–14], allied to the par- closer to the idea of “history” of trajectories in the Feyn-
ticular features of the former [15], actually point to the man sense [43].
potential usefulness of QW in building algorithms which
are much faster and robuster [16, 17] than their classical
counterparts. As representative examples we can cite the The paper is organized as the following. In Sec. II
Grover algorithm [18] (simulated through QW [19]) for we review the scattering formulation for quantum walks,
searching of unsorted database, the element distinctness also making few useful parallels with the classical case.
algorithm [20], the detection of marked elements [21], the By direct mapping one-dimensional QW to a related type
computation of orders of solvable groups [22], and the of problem, 1D point interaction lattices, in Sec. III we
quantum Fourier transform [23]. Moreover, even prob- are able to write the exact Green function G in the form
lems like the energy transport in biological systems can of a sum over paths. Moreover, we discuss how such for-
be analyzed by means of QW [24]. mula can be summed as a closed analytical expression.
A key aspect in such class of systems is the quantum In Sec. IV the 1D construction is extended to complete
interference between the possible “paths” (see next Sec- arbitrary topologies. By defining the step and path op-
tion) along the evolution [25–28]. It leads to a dynam- erators, we show in Sec. V how to extract any system
relevant information from the exact expression for G. In
Sec. VI we illustrate the features of the present approach
analyzing in details a particular example, the diamond-
∗ fmandrade@uepg.br shaped graph. Finally, we present the conclusion in Sec.
† luz@fisica.ufpr.br VII.
2
II. A BRIEF REVIEW ON THE SCATTERING The term exp[iγ] is associated to the translation between
FORMULATION FOR QUANTUM WALKS neighbor sites (∆j = L = 1), relevant to proper describe
stationary scattering solutions [44].
To better understand the main ideas underlying the Provided Eq. (3) holds, there is a freedom to choose
definition of quantum walk models, and thus to develop a the coefficients rj and tj . For instance, by setting (0 ≤
Green function approach, here we review QW scattering ρj ≤ 1 and 0 ≤ φj , ϕj < 2π for any j)
formulation [4] on the line (1D). The case of more general q
topologies will be discussed in the next Sections. tσ,j = ρj exp[iσφj ], rσ,j = σ 1 − ρ2j exp[iσϕj ], (5)
So, consider a helpful framework for SQW: to view
∗
their evolution as a dynamics defined on a 1D “Hilbert one gets r−1,j = −r+1,j and t−1,j = t∗+1,j , just the con-
lattice”, depicted in Fig. 1. Notice, however, it does not vention used in [4] (Fig. 1).
necessarily represent a spatial structure since the states The dynamics in Eqs. (1)–(4) in fact represents an ex-
(assumed on the bonds) do not need to be position eigen- tended quantum version of a more simple classical ran-
vectors. Under this picture, the lattice characteristic pa- dom walk. Each time the classical walk needs to choose
rameter is L = ∆j = 1, just the spacing between two a new direction, it uses the same probabilities (P and
consecutive sites of the Hilbert lattice. Along each bond, 1 − P ) to decide between right and left. By allowing in
joining the sites j and j + 1 (Fig. 1), we have two pos- Eq. (5) ρ and the phases to depend on j, we are implic-
sible states, | + 1, j + 1i and | − 1, ji. Then, each ba- itly assuming position dependent distribution functions
sis element, |σ, ji, is labeled by two quantum numbers. for the direction choices. Obviously, by setting a same ρ,
The first, σ, sets the “direction” (±1) along the lattice. ϕ and φ for any j we recover the usual case.
We mention that although fully equivalent, the present Finally, as it stands the above model is deterministic in
is slight different than the common SQW construction in the quantum mechanical sense: any initial state |Ψ(0)i,
the literature. after n time steps, is uniquely determined by the always
well defined state U n |Ψ(0)i. Thus, stochasticity (i.e.,
classical randomness) can enter into the problem only
The discrete time evolution is given by the one step
through measurements, when we determine the system
unitary operator U , such that |Ψ(n + 1)i = U |Ψ(n)i.
location along the Hilbert lattice. In fact,
For U , we consider the translation (ST ) and reversion-
translation (SRT ) operators Pσ,j (n) = |hj, σ|Ψ(n)i|2 (6)
ST |σ, ji = |σ, j + σi, ST † |σ, ji = |σ, j − σi, is the probability to be in the quantum state (or in the
present lattice language “position and direction”) j, σ at
SRT |σ, ji = SRT † |σ, ji = | − σ, j − σi, (1) time n. So, projection is an essential ingredient in QW.
As a simple example, consider the initial state |Ψ(0)i =
with both unitary and SRT 2 = 1. We also define T and | + 1, 0i. Under U one has after n = 3 time steps
n
|Ψ(3)i = exp[3iγ] t+1,0 t+1,1 t+1,2 | + 1, 3i + (r+1,0 r−1,−1 t+1,0 + t+1,0 r+1,1 r−1,0 )| + 1, 1i + r+1,0 t−1,−1 r−1,−2 | + 1, −1i
o
+r+1,0 t−1,−1 t−1,−2 | − 1, −3i + (r+1,0 r−1,−1 r+1,0 + t+1,0 r+1,1 t−1,0 )| − 1, −1i + t+1,0 t+1,1 r+1,2 | − 1, 1i . (7)
Thus, the system probability to be found, say, in | + 1, 3i there is only one possible “path” ending up in | + 1, 3i.
is |t+1,0 t+1,1 t+1,2 |2 . Note that for three time steps, Hence, the modulus square of the quantum amplitude
3
+1,0 +1,1
usual delta function [46]. Each point interaction (at
−1,−1 −1,0 x = ±jL, j = 0, 1, . . .) is entirely characterized by the
(±) (±)
quantum amplitudes rj (k) and tj (k). The super-
script + (−) stands for the reflection or transmission
of a plane wave of wave number k incoming from the
left (right) of the point interaction location. Hereafter,
r−2,t −2 r−1,t −1 r0,t 0 r+1,t +1 r+2,t +2 subscripts (superscripts) for direction quantum numbers
t0
(−)
indicate that the corresponding r’s and t’s are those for
r0
(+) (−)
r0 QW (continuous scattering) systems. For the most gen-
(+) eral zero range potential, we have that (see, e.g., Ref.
t0
x=−2 L x=−L x=0 x=+L x=+2 L
[47] for a full discussion)
(±) cj ± ik(dj − aj ) + bj k 2
FIG. 2. Schematic association between QW Hilbert (space) rj (k) = exp[±ikej ],
lattice and a generalized Kronig-Penney configuration lattice. −cj + ik(dj + aj ) + bj k 2
Each site j corresponds to a point interaction at x = jL (of (±) 2ik exp[±iθj ]
(±) (±)
reflection and transmission amplitudes rj and tj ). tj (k) = , (8)
−cj + ik(dj + aj ) + bj k 2
where aj dj − bj cj = 1, with aj , bj , cj , dj , ej real and θj ∈
associated to such path yields the sough probability. [0, 2π) [48]. Equation (8) satisfies the relations in Eq. (3)
On the other hand, there are two possible paths lead- and also to
ing to | − 1, −1i. They correspond to the amplitudes (±) (±) ∗ (±) (∓) ∗
r+1,0 r−1,−1 r+1,0 and t+1,0 r+1,1 t−1,0 (cf. Eq. (7)). But rj (k) = rj (−k), tj (k) = tj (−k). (9)
contrary to CW, where the total probability is the sum
of the individual probabilities of each trajectory, here the Furthermore, for bj = cj = 0, they become independent
quantum interference character of the walk demands that on k (up to the phases for the r’s) and Eq. (8) assumes
P−1,−1 (3) = |r+1,0 r−1,−1 r+1,0 + t+1,0 r+1,1 t−1,0 |2 . the same form as Eq. (5).
Now, let us set m = ~ = 1 (so p = k), define τ =
L/vphase with vphase = p/2, and for convenience take
III. A GREEN FUNCTION APPROACH FOR L = 1. Then, we can make a direct association between
QUANTUM RANDOM WALKS the quantum walk one step evolution operator U and the
continuous system propagator U(τ ), mapping U |Ψ(0)i =
Here we develop a Green function approach for the |Ψ(1)i to U(τ )|Φ(0)i = |Φ(τ )i.
SQW in the previous Section, proceeding in three steps. To concretely establish the correspondence, we start
(a) First, we construct a mapping from our QW to a with the simplest situation of a fully biased quantum
1D generalized Kronig-Penney lattice [38], for which we walk, i.e., one which always evolves to a same direction.
can calculate the exact energy-dependent Green function We thus assume ρj = 1 and φj = 0 for any j, from
G. (b) Then, we discuss which are the mapped system Eq. (4) leading to U = exp[iγ] ST . Such case presents a
appropriate configurations in order to match the original close parallel with a quantum particle propagating freely
problem. (c) Finally, we show how the obtained G gives along the line. In our generalized Kronig-Penney lattice,
the quantum walk sought dynamics. We leave to the a free particle is trivially obtained by setting all the reflec-
next Section the extension of the 1D results to the case of tion (transmission) amplitudes equal to 0 (1), so that the
more general topologies, namely, QW on arbitrary graph time evolution is U(t) = exp[−i(p̂2 /2)t], with p̂|pi = p|pi
structures. for |pi the moment eigenstate. Hence, we have a direct
mapping between the complete biased quantum walk dy-
namics and the evolution of a free particle on the line for
A. The mapping t = τ . The equivalent quantities are listed in Table I.
Next, we consider that in Eq. (5) for any j 6= 0 we have
ρj = 1 and φj = 0, and for j = 0 we have arbitrary ρ
As already emphasized, the quantum walk does not
and phases. Also, we assume as the quantum walk initial
necessarily represent any dynamics on a concrete physical
state
lattice. Nevertheless, for our purposes it is very useful to
associate the quantum walk Hilbert (space) lattice – and j=0
1 X
its underlying “kinematics” [45] – to that of an usual |Ψ(0)i = √ exp[ijγ]| + 1, ji, (10)
continuous 1D quantum scattering problem. 2π j=−∞
In Fig. 2 we show schematically the correspondence
between the model of Fig. 1 with a generalized Kronig- so that Pj (n = 0) = 0 for j > 0. Then, applying n times
Penney lattice of equally spaced arbitrary point interac- the evolution operator, Eq. (4), to |Ψ(0)i we get (with
tions [38], i.e., zero range potentials which extend the r = r+1,0 and t = t+1,0 )
4
TABLE I. The correspondence between quantities in the complete biased quantum walk and in the 1D free propagation
Fully biased 1D quantum walk Free quantum propagation on the line
U = exp[iγ] ST U(τ ) = exp[−i(p̂2 /2)τ ], τ = L/vphase = L/(p/2), p = k, L=1
P R +∞
|Ψ(0)i = √12π j=+∞
j=−∞ exp[ijγ]| + 1, ji |Φ(0)i = |pi = √12π −∞ dx exp[ipx]|xi
a
|Ψ(1)i = U |Ψ(0)i = |Ψ(0)i |Φ(τ )i = U(τ )|Φ(0)i = exp[−ip2 τ /2]|Φ(0)i = exp[−ip]|Φ(0)i
γ p
a Strictly speaking, exp[iγ] in the definition of U in Eq. (4) is not necessary and then the equivalence would be complete (here, in each
step it is up to such global phase). Nevertheless, if we take as an initial state |Ψ(0)i = |σ, ji, instead of states like Eq. (10), exp[iγ]
becomes useful to study interference in more general topologies, as in Sec. VI. The important point, therefore, is that we have just a
phase difference, so not compromising any parallel between the systems time evolutions.
(+) (+)
Note that U |Ψscat. i = |Ψscat. i, so it is a stationary state. are identically null, namely, rj = 0 and tj = 1 (j 6= 0)
An equivalent situation for the generalized Kronig- and
(+)
r0 (p) = r(p),
(+)
t0 (p) = t(p). In this case, the scat-
Penney lattice is to assume that all r’s but one (the re- tering solution for a particle incident from the left reads
flection amplitude for the point interaction at the origin)
0 0 +∞
1 n
Z Z Z o
|Φscat. i = √ dx exp[ipx]|xi + r(p) dx exp[−ipx]|xi + t(p) dx exp[ipx]|xi . (13)
2π −∞ −∞ 0
Comparing Eqs. (12) and (13), it is evident the corre- a direction to proceed, whereas at the other sites the
spondence between the two situations. direction is always maintained, with ρj = 1 and φj = 0
We can go further, considering that only at two sites for any j 6= 0, 1. Thus, repeating the same calculations
the walk can “choose” (from r±1,j and t±1,j , j = 0, 1) for the initial state |Ψ(0)i of Eq. (10), we get
(±)
for the coefficients r(p), t(p), a(p) and b(p) obtained from Eq. (15) through the substitutions r±1,j → rj (p),
5
(±)
t±1,j → tj (p) and γ → p. Once more we find a di- (a) +1,−M +1,−M+1 +1,0 +1,1 +1,M +1,M+1
rect association between the two cases.
By repeating this procedure of “turning on” more and −1,−M−1 −1,−M −1,−1 −1,0 −1,M−1 −1,M
more sites in the quantum walk and zero-range potentials
in the Kronig-Penney lattice, one realizes that their rela-
tion is indeed direct. The one-to-one mapping is a simple
identification of quantities in the two cases. The direc- (b) +1,−M+1 +1,0 +1,1 +1,M
tion coefficients rσ,j and tσ,j at each site in the quantum
(±)
walk corresponds to the scattering amplitudes rj and −1,−M −1,−1 −1,0 −1,M−1
(±)
tj of a point interaction in the Kronig-Penney model.
The quantum number j is associated to the appropriate
position eigenvalues x/L, likewise for σ with respect to (c)
the signal of p. Lastly, the SQW single step evolution
U (up to the phase exp[iγ]) is akin to U(t = τ ) for the
continuous scattering system.
We finally note that we have discussed the mapping as- x/L
suming a scattering scenario, with the QW initial state −M −M+1 −1 0 +1 +M−1 M
given by Eq. (10). However, we also could start with
an initial state localized in some region of the quantum FIG. 3. (a) If under a particular instance, the QW relevant
walk lattice and an initial wave packet localized in an dynamics is restricted to the states |j| ≤ M ; (b) then, effec-
equivalent region of the generalized Kronig-Penney lat- tively the system can be described by a finite Hilbert space
“lattice”; (c) whose mapping leads to a finite set of general
tice. Then, by applying the respective time evolution
point interactions on the line.
operators, again we would find a direct association be-
tween their dynamics: the multiple scattering of the wave
packet in the Kronig-Penney lattice resembling the pro- as illustrated in Fig. 3, in both situations the relevant
liferation of paths (e.g., see the example in Sec. II) in dynamics for the QW is related just to a segment of the
the quantum walk. So, the correspondence between the infinite generalized Kronig-Penney lattice, encompassing
two systems is complete and not restricted to the type 2M + 1 (for M equal to J or N ) point interactions. So,
of initial state assumed. This fact becomes more evident in such instances effectively one needs to deal only with
from the Green function approach next. finite lattices.
B. Quantum walks and finite lattices C. The finite lattice Green function and its
relation to the original quantum walk problem
To calculate the exact Green function in the case of an
infinite generalized Kronig-Penney lattice is a difficult Once the quantum walk dynamics one shall study is
task [38]. However, a key aspect in solving QW through mapped to an appropriate (finite) generalized Kronig-
the proposed mapping is that in almost all situations of Penney lattice, the next step is to calculate the Green
interest, the original system can be mapped to a finite function for the latter. Based on certain techniques [50,
lattice – a limited number of point scatters along the line 51], the way to do so has been developed in [38]. Here
– and not to an infinite comb of zero-range potentials. we just summarize the main steps (for details see [38]).
For example, let us assume that the quantum walk ini- Suppose a particle of energy E = k 2 /2, for which
tial state |Ψ(0)i is, say, either | − 1, −1i or | + 1, +1i, G(xf , xi ; k) denotes its energy-dependent Green func-
thus localized about and leaving from the origin. Now, tion. The initial and final positions, respectively xi and
suppose we shall discuss any quantity for times no longer xf , are arbitrary points along the 1D lattice (e.g., Fig.
than n = N , or for contexts where the dynamics never 4). Then, the exact G (up to a factor (ik)−1 , unnecessary
takes the system beyond the sites j = ±J, J > 0. Ex- for our purposes) reads [38, 50]
amples are: (a) to determine the probability to be at the X
G(xf , xi ; k) = Ws.p. exp[iS s.p.(xf , xi ; k)]. (17)
state j (i.e., to calculate |hj, σ|Ψ(n)i|2 ) for n up to n = N ;
s.p.
and (b) to obtain the probability for the walk to reach
for the very first time a “distance” j = J from the origin The sum is performed over all possible infinite “scattering
(j = 0) at times n = 1, 2, . . ., known as the first passage paths” (s.p.) starting and ending at the points xi and xf .
time problem in classical random walk theory [49]. For each s.p., the classical action is written as Ss.p. =
For (b), any evolution leading to hj, σ |U n |Ψ(0)i 6= 0 k Ls.p. , with Ls.p. the s.p. total length. The pre-factor
(|j| > J, arbitrary n) has no interest for the problem amplitude (or weight) Ws.p. is given by the product of
solution [15]. In (a), after N steps the initial state has the quantum coefficients gained each time the particle is
spread at most a distance |j| = N from the origin. Hence, scattered off by a given contact potential along the way.
6
T+
G(xf , xi ; k) = exp[−ikxi ] + Rl exp[ikxi ] exp[ikxf ] + Rr exp[−ikxf ] . (18)
[1 − Rl R+ ][1 − R− Rr ] − T+ T− Rl Rr
In the above expression, the R’s and T ’s are effective reflection and transmission amplitudes, resulting from groups
of zero range potentials as depicted in Fig. 4 (b). They are explicit given by
(−)
Rl = r−3 exp[6ik],
(−) (+) (+)
(+) t+1 t+1 r+2 exp[4ik]
Rr = r+1 exp[2ik] + (−) (+)
,
1 − r+1 r+2 exp[2ik]
(+) (−) (+) (−) (+) (+) (−) (+)
r−1 − r−1 r−1 − t−1 t−1 r0 exp[2ik] t−2 t−2 exp[−2ik]
(+)
R+ = r−2 exp[−4ik] + ,
(−) (+) (−) (+) (−) (+) (−) (+) (−) (+)
1 − r−2 r−1 + r−1 r0 exp[2ik] + r−1 r−1 − t−1 t−1 r−2 r0 exp[4ik]
(+) (+) (+)
t−2 t−1 t0
T+ = ,
(−) (+) (−) (+) (−) (+) (−) (+) (−) (+)
1 − r−2 r−1 + r−1 r0 exp[2ik] + r−1 r−1 − t−1 t−1 r−2 r0 exp[4ik]
R− = R+ exp[4ik], where in R+ we exchange (+) ←→ (−) and j = −2 ←→ j = 0,
T− = T+ , where in T+ we exchange (+) ←→ (−) and j = −2 ←→ j = 0. (19)
Here, two points should be emphasized: (a) the energy domain G is given by a sum over all the possible multiple
7
Finally, the r’s and t’s are chosen such that for any j Sj † (k) = Sj (−k)), yield (where i, l, n = 1, 2, . . . , K (j) )
the Kj × Kj matrix Γj (of elements [Γj ]σ σ = rσσ,j and
(σ̃j(i) σ̃j(i) ) (σ̃j(i) σ̃j(i) ) ∗
[Γj ]σ′ σ = tσ′ σ,j , for both σ 6= σ ′ in {1, 2, . . . , Kj }) is rj (k) = rj (−k),
unitary. This makes U also unitary [7], establishing SQW
(σ̃ (i) σ̃ (l) ) (σ̃ (l) σ̃ (i) ) ∗
in arbitrary topologies. tj j j (k) = tj j j (−k),
X (σ̃ (i) σ̃ (l) ) (σ̃ (i) σ̃ (l) ) ∗ (σ̃ (i) σ̃ (i) ) (σ̃ (i) σ̃ (i) ) ∗
The usual, i.e., continuous in time and space, quan- tj j j tj j j + rj j j rj j j = 1,
tum mechanical dynamics on network structures (known l6=i
as quantum graph systems [54]) is likewise a generaliza- X (σ̃ σ̃ ) (σ̃ σ̃ ) ∗ (σ̃ σ̃ ) (σ̃ σ̃ )∗
j (i) j (n) j (l) j (n) j (i) j (i) j (l) j (i)
tion of the evolution in a 1D lattice with zero range po- tj tj + rj tj
n6=i,l
tentials [38, 55]. It is obtained by properly matching the
solutions of a 1D free [56] Schrödinger equation in the dif- (σ̃j(l) σ̃j(l) ) ∗ (σ̃j(i) σ̃j(l) )
+rj tj = 0. (22)
ferent arms (bonds) at the vertices (sites). For this end,
one assumes for each j a matrix Sj (k) (see below), which The above are natural generalizations [39, 58] of the usual
describes how an incoming plane wave of wave number k relations for the scattering coefficients (c.f., Eqs. (3) and
is scattered off at the vertex j. So, any j can be viewed as (9)) of a point scatterer on the line. Note also that if we
a general point interaction, but connecting Kj -directions (σ̃ (i) σ̃ (l) ) (σ̃ (l) σ̃ (i) )
instead of the common two (left and right) on the line. impose time-reversal invariance, tj j j = tj j j .
Furthermore, if for all j, Sj Sj † = Sj † Sj = 1, the result- Hence, the direction coefficients in a quantum walk, the
ing dynamics is unitary, conserving flux probability. Γj ’s, are in one-to-one correspondence with the scattering
matrices Sj ’s in a quantum graph system.
Quantum graphs can be solved through a Green func-
tion approach [57]. In fact, it has been shown [39] that
V. EXTRACTING INFORMATION FROM G:
the exact G is also given by Eq. (17), where now the THE STEP AND PATH OPERATORS
scattering paths are all the possible trajectories along
the network, starting and ending at the points xi and
xf (located in arbitrary arms of the graph). The W ’s From the previous results, it turns out that the exact
are the quantum amplitudes gained along the s.p.’s due Green function, Eq. (17), is actually the generating func-
to the scattering at the different sites. Finally, the men- tion of all the possible walks leaving from and arriving
tioned procedure of classifying and summing up different at the bonds corresponding to xi and xf , respectively.
classes of s.p.’s still holds in this case [39]. So, we always So, any individual or group of QW paths are obtained
can write the exact G as a closed analytical expression. through proper manipulations of G.
In this way, more simple tasks like to determine all
the trajectories for |Ψ(0)i = |σ, ji evolving, say, only two
Summarizing, QW in general networks are direct ex- times steps (n = 2), can be done by identifying particular
tensions of QW in 1D exactly in the same way than quan- terms directly in the G series representation, Eq. (17).
tum graphs are natural extensions of Kronig-Peney lat- However, the huge proliferation of paths in instances such
tices. Therefore, it is easy to realize that our previous as to find certain trajectories connecting two bonds very
mapping between the two types of systems in 1D remains far apart, or resulting from high values of n, makes the
valid in arbitrary topologies too. full series expansion difficult to deal with. In such cases,
a better approach is first to sum up the series [59] (using
Lastly, to define the reflection and transmission scat- the already mentioned procedures in the literature [38,
tering amplitudes in a quantum graph – and to associate 39, 50, 51] to get expressions like Eq. (18)) and then to
them to QW coefficients – we consider the same label- extract the sought information from G with the help of
ing used to characterize the lattices topologies. Thus, for the two operators described below.
Bj = {σ̃j (1) , σ̃j (2) , . . . , σ̃j (Kj ) }, the matrix elements of Sj The first is Ŝn , yielding all the paths of exactly n time
are steps. To define Ŝn , note that any walk state gains a
factor exp[iγ] at each time step (see Eq. (20)). From
the mapping, such factor is equivalent to z = exp[ikL]
in the (continuous) quantum graph problem. So, let
(σ̃j(i) σ̃j(i) ) (σ̃j(i) σ̃j(l) ) us set Gz as G in Eq. (17), but with the substitution
[Sj ]i i = rj , [Sj ]i l = tj (i 6= l).
exp[ikL] → z, and for which the scattering amplitudes
(21) are identified with the appropriate quantum walk coeffi-
(σ̃ (i) σ̃ (i) ) (σ̃ (i) σ̃ (l) )
In Eq. (21), rj j j (tj j j ) is the reflection cients Γj ’s (Section IV). Thus, one finds that if the step
(transmission) coefficient for the particle incoming to site operator Ŝn acting on Gz has the form
j from bond σ̃j (i) to be reflected (transmitted) to bond
1 ∂ n
σ̃j (i) (σ̃j (l) ). The unitarity of the Sj ’s plus the symmetries
Ŝn ≡ , (23)
of the Schrödinger equation for real potentials [58] (i.e., n! ∂z n z=0
9
2
then Ŝn Gz gives the total probability for the quantum VI. AN EXAMPLE: A DIAMOND-SHAPED
walk to leave the bond xi and to get to the bond xf in ex- GRAPH
actly n steps. We should mention that such construction
has already been proposed in [5, 44] to treat scattering Finally, to illustrate some features of our Green func-
problems. Considering the Green function approach, we tion approach, we discuss a quantum walk for the topol-
see that Ŝn can be applied in more general contexts. ogy depicted in Fig. 6. We assume complete general
(a) B
The second is P̂P , which extracts from G all the paths x i
x L f L
with specific trajectory stretches P. Any quantum walk
s.p. can be described by the sequence of coefficients r −2 −1 i A D f 0 +1
and t it gains along the way (cf., Eq. (7)). For instance, (b) C
consider Fig. 5 (b) and assume n = 6 applications of U + +
to the system initially at |1, ji. One possible sequence A + − C D
of successively visited states during the evolution, thus 0
B + −
0
representing a possible path, is: − −
(c) 2 4
3, 4 ,3
1 5 1 2 5
|1, ji→|1, j ′ i→|3, ji→|1, j ′ i→|3, ji→|2, j ′′ i→|2, ji.
For Eqs. (26)-(27) we have already used the mapping, A, B, C, D. Furthermore, if the coefficients for the sites
writing them in terms of quantum walk quantities. A and D and for the sites B and C are set equal, namely,
The amplitude T simplifies considerably if for any σ, rA = rD , tA = tD , rB = rC and tB = tC , Eq. (26)-(27)
σ ′ , we have tσ σ′ ,X = tX and rσ σ,X = rX with X = yields
2 t2A tB
T = 2 ) exp[4iγ] exp[3iγ]. (28)
1 − 2 (tA + rA ) rB exp[2iγ] − (tA + rA )2 (t2B − rB
For the particular Grover coin values, we get from Eq. culation is useful because it gives the hitting time |hn |2
(28) T = 8 exp[3iγ]/(9 − exp[4iγ]), in agreement with [31], i.e., the probability for the walk to reach a given
Ref. [44] as it should be. state |σ, ji from |σ ′ , j ′ i as function of n. The present
We emphasizes that T is given by a sum over all the Green function approach allows to obtain hitting times
possible paths leaving i, going into the diamond region, in a rather direct way. To exemplify this, we first con-
and finally leaving to the bond f . So, the probability for sider the most general case, Eqs. (26)-(27), and select all
i → f in exactly n steps can be obtained by applying the paths reaching the bond f in five time steps. Then,
the step operator to Tz = T |exp[iγ]→z . Such type of cal- h5 = Ŝ5 Tz , reads
nh i h i o
h5 = t0 +,A t+ −,B r+ +,D r− −,B + r+ +,B r+ +,A t+ −,B t+ 0,D + t+ −,B t+ −,D r− −,C + r+ +,B t+ −,A t+ −,C t− 0,D
nh i h i o
+t0 −,A t+ −,C r− −,D r− −,C + r+ +,C r− −,A t+ −,C t− 0,D + t+ −,C t− +,D r− −,B + r+ +,C t− +,A t+ −,B t+ 0,D ,
(29)
which represents the eight possible trajectories with n = (28), Tz can be casted as
5, Fig. 6 (c).
−t2A
tB − rB
tB + rB
Tz = + 2 ,
(tA + rA )2 (t2B − rB
2) 2
z − z− z − z+
(30)
Certainly, in more symmetric situations analytical re- where z± = (±tB − rB )/[(tA + rA )(t2B − rB 2
)]. Hence, for
sults are easier to obtain. Indeed, for the case of Eq. |hn |2 = |(n!)−1 (∂ n Tz /∂z n )z=0 |2 , we find that
(
2 |(tB + rB )(n−1)/2 − (−1)(n−1)/2 (tB − rB )(n−1)/2 |2 if n is odd,
|hn | = |t2A (tA + rA )(n−1)/2−1 2
| × (31)
0 if n is even,
11
is the probability to cross the diamond region in exactly n rA = −1/3, we recover the result in Ref. [44], namely,
steps. |hn |2 = 0 for n < 3, since at least three time steps |hn |2 = (8/9(n+1)/4 )2 for n ≡ 3 (mod 4) and |hn |2 = 0
are necessary to leave the bond i and to arrive at bond otherwise.
f . Also, from a direct inspection in Fig. 6 one realizes As discussed in the previous section, specific P’s are
that it is not possible a transmission for an even number obtained from the Green function by means of the path
of steps, a result explicit in Eq. (31). If tB = tC = 0, operator P̂P . For instance, suppose we shall select the
obviously the system never gets to the right lead and trajectories directly crossing the diamond region, i.e.,
Eqs. (28) and (31) are identically null. Finally, if we transmissions through A, then through B or C, and fi-
consider rB = 0 and tB = 1, we find Pn 6= 0 only for nally through D, with no multiple reflections. In this
n ≡ 3 (mod 4). Furthermore, assuming tA = 2/3 and special case, the path operator is
t+ −,B ∂ t+ −,C ∂
P̂P = + , (32)
1! ∂t+ −,B t=0 (t6=t0 +,A , t+ 0,D ),r=0 1! ∂t+ −,C t=0 (t6=t0 −,A , t− 0,D ),r=0
Although the above expression may seem rather cum- tions can be carried on straightforwardly. For instance,
bersome, it is amenable to work with by using algebraic consider all the paths which get to right lead only pass-
manipulation softwares (what we have tested by investi- ing through the superior arm. Furthermore, assume that
gating different situations; results will be reported else- among them, we shall select those tunneling the site B
where). In certain instances, nevertheless, the calcula- exactly n times. In this case, the path operator is simply
(tB )n ∂ n
P̂P = . (35)
n! ∂tnB t=0 (t 6= t0 +,A , t+ 0,D ), r=0 (r 6= r+ +,A , r+ +,D )
12
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