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. 2022 Jul 8;23(12):4463–4487. doi: 10.1007/s00023-022-01207-8

Trotter Product Formulae for -Automorphisms of Quantum Lattice Systems

Sven Bachmann 1, Markus Lange 2,
PMCID: PMC9674773  PMID: 36415329

Abstract

We consider the dynamics tτt of an infinite quantum lattice system that is generated by a local interaction. If the interaction decomposes into a finite number of terms that are themselves local interactions, we show that τt can be efficiently approximated by a product of n automorphisms, each of them being an alternating product generated by the individual terms. For any integer m, we construct a product formula (in the spirit of Trotter) such that the approximation error scales as n-m. Our bounds hold in norm, pointwise for algebra elements that are sufficiently well approximated by finite volume observables.

Introduction

For any two matrices A and B, Lie proved the celebrated product formula

eA+B=limneA/neB/nn. 1.1

There is a long line of similar formulae of increasing generality, pioneered by Trotter [1], simplified by Chernoff [2] for semigroups on Banach spaces, see e.g., [3]. In the particular setting of quantum mechanics where AB are densely defined semibounded self-adjoint operators and exp(itA),exp(itB) and exp(it(A+B)) are the corresponding unitary groups, the product formula was proved under general assumptions by Kato [4] and Ichinose [5], see also [6]. It plays a crucial role in functional integration, see in particular [7]. For related results in the context of the quantum Zeno effect, we refer to [8], and point further to [9] for a historical overview, in particular in the case of Gibbs semigroups.

The recent interest in proving general product formulae with explicit control of the rate of convergence has been motivated by two related developments in many-body quantum systems. On the one hand in quantum information theory, operator products arise as quantum circuits and a product formula is interpreted as a simulation algorithm for the time evolution of a quantum system [1012]. On the other hand in condensed matter physics, operator products are referred to as finite depth quantum circuits and play a central role in the classification of gapped phases [13], as they can be used to define the very notion of equivalence of states. In both cases, the concepts have recently been tested experimentally, see e.g., [14, 15].

In both applications, the rate of convergence of the product formula to the full dynamics is of crucial importance: for quantum simulation because it determines the number of quantum gates required to simulate to a given error, for gapped phases because it relates to the degree of entanglement of ground states. The standard general product formulae yield a rather poor scaling of either n-1/2 or at best n-1, see again [3]. In fact, in the case of Gibbs semigroups, there exist pairs of unbounded operators for which the norm difference is lower bounded by L(t)n-1, see [9]. Furthermore, beyond the mere scaling, sharp constants are essential and may prove fatal in a many-body setting. Indeed, for a lattice system having N degrees of freedom, the error diverges as N, even in the strong operator topology, which is the natural topology as soon as AB are unbounded. This is related to the infrared catastrophe: If two states are locally close to each other but the error extends to spatial infinity, then they are in fact orthogonal.

In this work, we consider d-dimensional quantum lattice systems in the infinite volume limit. The dynamics is an automorphism group tτtΦ of the quasi-local algebra (which is a C*-algebra) generated by a local Hamiltonian formally given by

H=XΦ(X)=j=1kKj 1.2

where the Kj’s correspond to an arbitrary grouping of the interaction terms. We provide product formulae and prove explicit bounds for sufficiently localized observables: For any mN, there is a product automorphism denoted πt,n(m) such that

τtΦ(O)-πt,n(m)(O)Cm,t,k(O)n-m 1.3

for any almost local observable. The constant Cm,t,k(O) depends on both the observable O and the Hamiltonian. The convergence we consider here is in the C*-norm, pointwise for sufficiently localized elements of the algebra. In other words, we consider the strong topology of operators acting on the C*-algebra. This is a purely Banach space result.

As in (1.1), πt,n(m) are compositions of the individual dynamics generated by each Kj individually. The general form of the product πt,n(m) was proposed by Suzuki [16] although in the Hilbert space setting, see also [17], and used recently by Childs et al. [18], but only for finite systems with bounds that diverge in the volume.

From a technical point of view, we find it convenient to consider almost exclusively the interaction norms, see Definition (2.2), that measure the local size of extensive observables of the type (1.2). We extend their definition to be able to consider interactions localized in (possibly infinite) subsets of the lattice (see also [19]) and remark that this construction is well-suited to discuss almost local observables. Crucially, the unbounded -derivation formally given by

Xi[Φ(X),·]

is well-defined on the set of almost local observables: it maps this set into itself, and we quantify explicitly the weakening of the localization induced by its action in terms of the interaction norms.

We further wish to point out two related results. Firstly, a slightly different approach to a product formula was taken in [20], focussing on the ‘quasi-adiabatic’ properties of product formulae, namely the error when projected onto the ground state space. Secondly, a similar spatial product factorization with sharp error bounds was derived in [21]: it is not based on the Trotter strategy but it uses rather directly the Lieb–Robinson bound, see also [22].

While the results hold for a general decomposition (1.2), in applications the factors Kj will be chosen so as to be commuting Hamiltonians, namely each Kj is a sum of mutually commuting interaction terms Φj(X), i.e., [Φj(X),Φj(X)]=0 for all X,X. Such Hamiltonians have the property that the corresponding automorphism τtΦj(O) is strictly local in that the support of the observable O grows at most by the range of the interaction, uniformly in the time t. Propagation, which is obviously present in the full dynamics τtΦ(O) arises then through the alternating action of the automorphisms {τΦj:j=1,,k}. While the Lieb–Robinson bound is at the heart of the proofs, the product formulae provide a very clear picture of the mechanism of propagation.

In the context of quantum simulation, much attention is given to the error made in the approximation upon truncation of the product formula to a finite number of terms. As we shall see, the error has a complicated dependence on a number of parameters and we shall discuss this in detail later. We already point out now (i) that the error is exponential in the total time t, (ii) that the number of factors in πt,n(m) is proportional to n and to the number k of factors in the decomposition of the Hamiltonian, and that it is exponential in the order m of approximation, and (iii) that unlike in the original Trotter product formula, the times involved in the various factors of πt,n(m) are not all equal, although they are all of order tn; in fact, the time evolution runs backwards for a fraction of the factors, giving rise to a fractal path, see Fig. 1 at the end of Sect. 4.

Fig. 1.

Fig. 1

The discrete time steps in σμ(m) for r=3 on the left and r=5 on the right, for the same order m=9 and in the case k=2. There is an order of magnitude difference between the number of terms involved, with the ratio of the number of terms being 542+1342+17.7

Finally, we comment on the relation of the present work to [23]. While we start with a Hamiltonian evolution and approximate it with a finite depth quantum circuit, [23] goes beyond, although only in one dimension. The starting point there is an almost locality preserving unitary (ALPU, an automorphism satisfying a Lieb–Robinson bound), which is not a priori generated by a Hamiltonian. Generalizing the index defined in [24], and in the case that the index of the ALPU vanishes, Theorem 5.8 in [23] goes on to prove that the automorphism is in fact well approximated by a finite depth quantum circuit. The construction there is of a very different nature than ours and the successive layers of the circuit have increasing interaction range but decreasing strength and they act over a decreasing time interval.

Setting

Let (Γ,d) be a metric graph, where d is the graph distance. We assume that Γ is d-dimensional in the sense that supxΓ|{yΓ:d(x,y)=r}|=ω(1+r)d-1. For any subset XΓ, we define for any r>0 the set X(r)={xΓ:d(x,X)r} which is an r-fattening of the set X.

To each site xΓ, we associate a finite-dimensional complex Hilbert space Hx and define for any finite ΛΓ,

HΛ:=xΛHxandAΛ:=B(HΛ),

where B(Hx) denotes the bounded linear operators over Hx. Moreover, we identify AAΛ0 with AIΛ\Λ0AΛ whenever Λ0Λ. With this, we can inductively define the algebra of local observables

Aloc:=ΛPfin(Γ)AΛ

where the union is taken over Pfin(Γ), the set of all finite subsets of Γ. If OAloc, then supp(O) is the smallest set X such that OAX. The completion of Aloc with respect to the norm topology is a C-algebra which is called the quasi-local algebra and we denote it by A. The above construction of A is completely standard and we refer to [3, 25] for further details.

Interactions and Hamiltonians

Definition 2.1

An interaction is a map Φ:Pfin(Γ)Aloc such that

Φ(X)AX,Φ(X)=Φ(X),

for all XPfin(Γ).

We turn the set of interactions into a Banach space in the following way. Let 0<p1 and let

ξb:[0,)(0,),ξb(x)=e-bxp,

for any b>0. The function ξb is a decreasing, logarithmically superadditive function, namely ξb(x+y)ξb(x)ξb(y), that is summable in the following sense

ξb1:=supyΓxΓξb(d(x,y))<, 2.1

since Γ is finite dimensional.

Definition 2.2

Let D(X):=max{d(x,y):x,yX} denote the diameter of the set XΓ. The interaction norm of an interaction Φ is given by

graphic file with name 23_2022_1207_Equ5_HTML.gif 2.2

For fixed b>0, we denote the Banach space of interactions with finite Inline graphic-norm by Bb and set

B:=b>0Bb.

An interaction Φ therefore belongs to B if it belongs to at least one Bb. If ΦBb0, it then follows by definition that ΦBb for all 0<bb0. Note that while each Bb is a Banach space, their union B is not.

Finally, we shall denote B=b>0Bb, namely ΦB if and only if ΦBb for all b>0.

We point out the norm Inline graphic indicates both the rate of decay of the interaction and its intensity in the sense that the total interaction at any given xΓ is bounded by the interaction norm:

graphic file with name 23_2022_1207_Equ81_HTML.gif

We will also need the notion of an interaction that is almost localized in some set ZΓ.

Definition 2.3

Let ZΓ and let DZ(X):=D(X)+d(X,Z). Let

graphic file with name 23_2022_1207_Equ6_HTML.gif 2.3

We denote Bb(Z) the corresponding Banach space of interactions and define

B(Z):=b>0Bb(Z).

Note that the replacement of the diameter by DZ(X) captures the decay of the interaction Φ(X) in the size of X and in the distance from X to Z. If ΦBb(Z), then the total contribution of Φ at a given point x is not only finite, but it decays with the distance of x to Z,

graphic file with name 23_2022_1207_Equ7_HTML.gif 2.4

Indeed, we first write

XPfin(Γ):xXΦ(X)XPfin(Γ):xXΦ(X)ξb(DZ(X))ξb(DZ(X)). 2.5

Given xX, let z,z0Z and x0X be such that d(x,Z)=d(x,z), d(X,Z)=d(x0,z0). Then,

d(x,Z)=d(x,z)d(x,z0)d(x,x0)+d(x0,z0)DZ(X). 2.6

Since ξb is a decreasing function, we have that ξb(DZ(X))ξb(d(x,Z)) which yields (2.4) when plugged in (2.5).

In general, the sum of an interaction is not convergent in A, but such a local Hamiltonian defines a dynamics and a densely defined *-derivation on A. Moreover, if an interaction is almost localized in a finite set, then the sum is convergent and defines what we shall call an almost local observable in A.

We start with the latter.

Lemma 2.4

Let ZPfin(Γ) and ΦB(Z). The sum

GΦ:=XPfin(Γ)Φ(X) 2.7

is convergent in A. Moreover,

graphic file with name 23_2022_1207_Equ82_HTML.gif

for all b>0, where the right-hand side is infinite whenever ΦBb(Z).

Proof

Let b>0 be such that ΦBb(Z). Then for any ΛPfin(Γ),

XPfin(Γ):XΛcΦ(X)xΛcXxΦ(X)

and we conclude by (2.4) that

graphic file with name 23_2022_1207_Equ83_HTML.gif

The integrability (2.1) of ξb and the finiteness of Z imply that limΛΓxΛcξb(d(x,Z))=0. The second claim follows from

graphic file with name 23_2022_1207_Equ84_HTML.gif

where we used (2.6). We decompose xΓ=n=0x:d(x,Z)=n to finally get the bound

graphic file with name 23_2022_1207_Equ85_HTML.gif

where Cb=ωn=0(1+n)d-1ξb(n) is convergent.

Definition 2.5

An almost local observable is an element OA for which there exists ZPfin(Γ) and a ΦB(Z) such that O=GΦ. We denote the set of almost local observables by L(Z), respectively, Lb(Z) whenever the rate b is fixed.

Slightly abusing language, we shall call Z the almost support of OL(Z). Moreover, we say that the interaction Φ in the definition is an interaction associated with O.

Let us now turn to interactions that are supported in the whole set Γ. They are locally finite, but the fact that they are extensive implies that a sum as in (2.7) is divergent. This suggests the following definition.

Definition 2.6

A family of self-adjoint operators H={HΛ:ΛPfin(Γ)} with supp(HΛ)=Λ is a local Hamiltonian if there exists an interaction ΦB such that

HΛ=XΛΦ(X).

We denote the set of local Hamiltonians by L.

Let H be a local Hamiltonian associated with an interaction ΦBb. Let (Λn)nN be an increasing and absorbing sequence of finite sets. For an observable OAZ, we have that if n>m

graphic file with name 23_2022_1207_Equ86_HTML.gif

since DZ(X)=D(X)d(Z,Λmc). Hence, (i[HΛn,O])nN is a Cauchy sequence and limn[HΛn,O] exists in A.

Strongly Continuous Dynamics and Derivations

Let HL with interaction ΦB. The finite volume dynamics RteitHΛOe-itHΛ satisfies a Lieb–Robinson bound. While the proof runs along the general lines of [26], we reproduce it in Appendix A in the specific setting of this paper; see also Section 4 in [27]. By standard arguments (see the previously cited reference or the original [28]), the Lieb–Robinson bound implies that

τtΦ(O)=limΛΓeitHΛOe-itHΛ

exists for all OAloc and that it extents to a strongly continuous group of -automorphisms of A. The corresponding generator δΦ of the dynamics τtΦ is given by

ddtτtΦ(O)=τtΦ(δΦ(O)).

A core for δΦ is the local algebra Aloc, see e.g., Proposition 6.2.3 in [25] where δΦ is explicitly given as the limit

δΦ(O)=limΛΓi[HΛ,O]=XPfin(Γ)i[Φ(X),O], 2.8

and the sum is convergent by the remark immediately after Definition 2.6.

For a general Hamiltonian in L, neither τtΦ(O) nor δΦ(O) is strictly local even if OAloc. However, we shall prove later that for any finite Z, L(Z) belongs to the domain of δΦ and it is invariant under the action of the derivation. Similarly, the Lieb–Robinson bound implies that L(Z) is invariant under the action of τtΦ.

Let rN0. For any local observable OAZ, we write

τtΦ(O)=EZ(r)(τtΦ(O))+n=rEZ(n+1)(τtΦ(O))-EZ(n)(τtΦ(O)) 2.9

where EX is the projection onto the subalgebra AX. Now, if ΦBb, then the Lieb–Robinson bound for τtΦ implies that, for any b<b and nN,

EZ(n)-id(τtΦ(O))2O|Z|Mb-beκ(b,b)|t|ξb(n), 2.10

where

Mϵ:=sup{|X|ξϵ(D(X)):XPfin(Γ)} 2.11

is finite for any ϵ>0, and the constant in the exponent is given by

graphic file with name 23_2022_1207_Equ15_HTML.gif 2.12

These estimates now yield the following proposition.

Proposition 2.7

Let ZΓ and OLb(Z) with associated interaction Ψ. Let ΦBb and let τtΦ be the corresponding dynamics. Then τtΦ(O)LbZ for any b<min{b,2-pb}. There is an interaction τtΦ(Ψ) associated with τtΦ(O) such that

graphic file with name 23_2022_1207_Equ87_HTML.gif

where the constant depends only on b,b,b.

Proof

Let ΨBb(Z) be the interaction associated with O, namely O=XPfin(Γ)Ψ(X). We construct an interaction, denoted τtΦ(Ψ), such that τtΦ(O)=XPfin(Γ)τtΦ(Ψ)(X) as follows. We decompose each τtΦ(Ψ(Y)) according to (2.9) with r=0 and gather contributions supported in a given set X to get

τtΦ(Ψ)(X):=EX(τtΦ(Ψ(X)))+n=1YPfin(Γ):X=Y(n)EY(n)-EY(n-1)(τtΦ(Ψ(Y))). 2.13

Using (2.10), all terms in the sum are bounded above by

(EY(n)-EY(n-1))(τtΦ(Ψ(Y)))2Ψ(Y)|Y(n)|Mb-b~eκ(b,b~)|t|ξb~(n), 2.14

for any b~<b. The first term is bounded above by Ψ(X) since EX is a projection; for simplicity, we shall rather use the estimate (2.14) with n=0 in the following.

Let xΓ. We claim that XPfin(Γ):xXτtΦ(Ψ)(X)ξb(DZ(X)) is uniformly bounded.

We shall use (2.13) together with the estimate (2.14). If xX=Y(n), then in particular Bn(x)Y and so

XPfin(Γ):xXτtΦ(Ψ)(X)ξb(DZ(X))2ωMb-b~n=0yBn(x)YPfin(Γ):yYΨ(Y)ξb(DZ(Y))|Y|ξb-b(DZ(Y))ξb~(n)ξb(2n)(1+n)deκ(b,b~)|t|.

In this estimate, we firstly recalled that X=Y(n) and used DZ(Y(n))DZ(Y)+2n to conclude that ξb(DZ(X))ξb(DZ(Y))ξb(2n), secondly factorized 1ξb=ξb-bξb. We also used that |Y(n)|ω|Y|(1+n)d. Hence,

graphic file with name 23_2022_1207_Equ88_HTML.gif

where we used that S(b~,b)=n=0ξb~(n)ξb(2n)(1+n)2d is finite because we can pick b~ such that b<2-pb~ since b<2-pb to ensure the convergence of the series. For simplicity, we make the specific choice b~=12(b+2-pb) and let C(b,b,b)=2ωS(b~,b)Mb-bMb-b~.

Remark 2.8

(i) A less detailed but clearer way to formulate the result would be that the *-subalgebra of almost local observables supported in Y is an invariant subspace for τtΦ for t in a compact interval.

(ii) One could wish to take the propagation into account in this result and prove rather that τtΦ(L(Z))L(Z(v|t|)), at least in the case of an interaction Φ that decays exponentially. This is of course true as L(Z(v|t|)) and L(Z) are equal as sets, but equipped with different norms. Since however the bound would still be superpolynomially large in time (because the support of each individual interaction term grows with time and hence the decay rate of the interaction does worsen), there is no real gain in doing so.

The derivation δΦ associated with a local interaction is in general unbounded on A and accordingly not everywhere defined. As pointed out earlier, Aloc is a core on which it is given explicitly as the limit of a commutator. We prove that δΦ extends to the set of almost local observables and that, as for the automorphism τtΦ, the sets L(Y) are invariant under the action of δΦ.

Instead of considering δΦ as an unbounded operator on observables, we find it more convenient to define it on the set of interactions B and to show that it extends to a bounded linear operator BbBb for appropriate pairs (b,b). A similar approach was in fact already taken in [27].

Definition 2.9

Let Φ,ΨB. The interaction δΦ(Ψ) is defined by

δΦ(Ψ)(X):=Y,YPfin(Γ):YY,YY=Xi[Φ(Y),Ψ(Y)] 2.15

for any XPfin(Γ).

Note that the condition YY is only for clarity since the commutator vanishes if it is not satisfied.

Remark 2.10

If OAZ and Ψ is the interaction trivially associated with it, namely Ψ(Z)=O and Ψ(X)=0 otherwise, then the definition above yields an interaction such that

XPfin(Γ)δΦ(Ψ)(X)=YPfin(Γ)i[Φ(Y),O]=δΦ(O)

as in (2.8), justifying the notation δΦ.

Proposition 2.11

Let ZΓ and let ΨBb(Z). Let ΦBb. If δΦ(Ψ) is defined as in (2.15), then δΦ(Ψ)Bb(Z) for any b<min{b,b} and

graphic file with name 23_2022_1207_Equ19_HTML.gif 2.16

Proof

For xΓ, we wish to estimate

XPfin(Γ):xXY,YPfin(Γ):YY,YY=X2Φ(Y)Ψ(Y)ξb(DZ(X)). 2.17

There are two possibilities for the second sum, either xY or xY\Y. In the first case, we can bound the sum by

YPfin(Γ):xY2Φ(Y)ξb(D(Y))yYYPfin(Γ):yYΨ(Y)ξb(DZ(Y))ξb(D(Y))ξb(DZ(Y))ξb(DZ(YY))

and in the second case the bound is similar. Now d(Z,YY)d(Z,Y). What is more, since Y,Y are not disjoint, D(YY)D(Y)+D(Y) so that monotonicity and superadditivity yield

ξb(D(Y))ξb(DZ(Y))ξb(DZ(YY))ξmin{b,b}(D(Y)+D(Y)+d(Z,Y))ξb(D(Y)+D(Y)+d(Z,YY))ξmin{b,b}-b(D(Y)+DZ(Y))

Since b<min{b,b}, we conclude that

graphic file with name 23_2022_1207_Equ89_HTML.gif

where C=4supY,YPfin(Γ)|Y|ξmin{b,b}-b(D(Y)+DZ(Y))4Mmin{b,b}-b, as announced.

Remark 2.12

We note that this is valid for any set Z, not necessarily finite. If ZPfin(Γ), then by the proposition both Ψ and δΦ(Ψ) correspond to almost local observables GΨ and GδΦ(Ψ) in L(Z) and the map GΨδΦ(GΨ):=GδΦ(Ψ) provides the announced extension of δΦ from Aloc to the set of almost local observables in A. Moreover, the proposition shows that if ΦBb, then the map δΦ is well-defined for any interaction in B and that it is a bounded linear operator Bb(Z)Bb(Z) for any b<min{b,b} and any subset Z. The upper bound on δΦL(Bb(Z),Bb(Z)) provided by the proof diverges as bmin{b,b}, but it can be taken to be uniform in Z.

We conclude this section with a joint corollary of Proposition 2.7 and 2.11. For any ZPfin(Γ), the set L(Z) of almost local observables is invariant under the action of τtΦ and δΦ for any t in a compact interval. It follows in particular that Duhamel’s formula and its iterates to arbitrary order are well-defined.

Corollary 2.13

Let HL with interaction ΦB. The function tτtΦ is infinitely often strongly differentiable on the algebra of almost local observables. In particular, if OL(Z) for some ZPfin(Γ), then Duhamel’s formula

τtΦ(O)=O+j=1n-1tjj!δΦj(O)+ΣtnτsnΦ(δΦ)n(O)dns 2.18

is well-defined for any nN. We denoted Σtn:={0s1snt} and dns=dsnds1.

A Product Automorphism of Lowest Order

With these preliminaries at hand, we now prove the validity of what is sometimes referred to as the symmetric Trotter product formula in the context of an infinite quantum lattice system. Let HL be a local Hamiltonian with interaction ΦB. We assume that

HΛ=j=1kKj,Λ 3.1

where Kj,ΛL are local Hamiltonians with corresponding interactions ΦjB. We denote τtj=τtΦj and δj=δΦj. Let us first consider the automorphism of A defined by

σt(1)(O):=τt/21τt/2kτt/2kτt/21(O). 3.2

We assume that ΦBb and ΦjBbj for j=1,,k. We denote

graphic file with name 23_2022_1207_Equ24_HTML.gif 3.3

Theorem 3.1

Let nN, tR+, μ=tn and let

πt,n(1)(O):=σμ(1)n(O).

Let ZPfin(Γ) and let b>0. There are positive constants Cv depending only on b,b,b1,,bk and k such that if OLb(Z),

graphic file with name 23_2022_1207_Equ90_HTML.gif

Here, Ψ is an interaction associated with O.

Note that in the case k=2, namely H=A+B, and in finite volume, the product automorphism reduces to the adjoint action of eit2nBeitnAeit2nBn, which is indeed well-known to converge to the adjoint action of eit(A+B) as n. While the convergence is trivially uniform in the observable O in finite volume (the finite volume algebras being finite dimensional), this uniformity cannot be expected to hold in the infinite volume limit. Pointwise convergence in norm is a consequence of the general Banach space theory originally due to Chernoff, see again [3]. In this context, the interest of Theorem 3.1 is that it provides an explicit rate of convergence n-2, for any almost local OL(Z) and any finite set Z (a fortiori for any strictly local observable).

Proof of Theorem 3.1

We first decompose the time interval [0, t] in n subintervals of width μ=tn to get the following telescopic sum:

τtΦ(O)-πt,n(1)(O)=j=0n-1σμ(1)j(τμΦ-σμ(1))(τμΦ)n-j-1(O). 3.4

For any almost local observable O~Lb(Z), we see that

ddsσs(1)τ-sΦ(O~)s=0=(2j=1kδj2-δΦ)(O~)=0

by (3.2) and (3.1). Similarly, but with a little more algebra,

d2ds2σs(1)τ-sΦ(O~)s=0=(14j=1k{l=1jδlδj+l=j+1kδjδl+δjl=1kδl-2δjδΦ+l=1kδlδj+l=j+1kδlδj+l=1jδjδl-2δjδΦ}-2j=1k12δjδΦ+δΦδΦ)(O~).

Writing j=1kl=1jδlδj=(δΦ)2-j=1kl=j+1kδlδj and proceeding similarly for the second-to-last term of the second line, we conclude that this derivative vanishes again by δΦ=j=1kδj. Thus,

τμΦ(O~)-σμ(1)(O~)=-σs(1)τ-sΦ(τμΦ(O~))s=0s=μ=-Σμ3d3ds33σs3(1)τ-s3Φ(τμΦ(O~))d3s. 3.5

Distributing the three derivatives across the 2k factors of σs3(1)τ-s3Φ inserts three derivations to the product τs3/21τs3kτs3/21τ-s3Φ(τμΦ(O~)). By Propositions 2.7 and 2.11, all terms are well-defined and belong to L(Z) since τμΦ(O~)L(Z). Specifically, each application of an automorphism yields an exponential factor and the three derivations provide an additional N3, see (3.3). Moreover, each of these operations yields an additional multiplicative constant, resulting in an overall factor that depends on k and on the rates b,b1,,bk, but it is independent of n. It follows that for any b~<min{b,2-pb,2-pb1,,2-pbk}, the interaction norm of each term is bounded by Inline graphic, where (k+1)s3+μ is the total time (in absolute value) involved in σs3(1)τ-s3Φ(τμΦ(O~)) and the constant c is the maximum of all (2k+1) constants κ(·,·) given by Proposition 2.7. Finally, we recall from (3.4) that O~=(τμΦ)n-j-1(O)=τ(n-j-1)μΦ(O) with OLb(Z), so that its b-interaction norm (with b<min{b,2-pb}) is bounded by Inline graphic, where Cc are, again, independent of n. Gathering all estimates,

graphic file with name 23_2022_1207_Equ91_HTML.gif

Since σμ(1) preserves the operator norm, each term of (3.4) is bounded by

graphic file with name 23_2022_1207_Equ92_HTML.gif

by Lemma 2.4, where we used that c(n-j+(k+1))μvt, where v=c(k+2). This estimate being uniform across the n terms of (3.4), we immediately conclude with the claim of the theorem.

Arbitrary Order

The symmetric Trotter formula discussed in the previous section has an error of order n-2. As pioneered by Suzuki in, e.g., [16], a recursive construction can be build upon it to generate higher order product formulae. We now show that they too extend to the infinite volume setting.

Time Reversal

Let us recall the automorphism σt(1) defined for all tR by (3.2). Since σt(1) is a composition of automorphisms, it is an automorphism, but the fact that the individual factors do not commute with each other breaks the group property of the fundamental time evolution τtΦτsΦ=τt+sΦ. However, the specific ‘symmetric’ form of (3.2) implies that

σ-t(1)σt(1)=id.

A product automorphism having this property shall be called time-reversal symmetric. Theorem 3.1 shows that, despite its label (1), the corresponding product automorphism πt,n(1) is in fact a second-order approximation of τtΦ. This improvement from any odd order to the next even order is in fact general for time-reversal symmetric product approximations.

Proposition 4.1

Let mN and let {σμ(2m-1):μR} be an (2m-1)-th order product approximation of τμΦ in the sense that

djdμjτμΦ(O~)-σμ(2m-1)(O~)μ=0=0(j{0,,2m-1}) 4.1

for any O~L(Y). If σμ(2m-1) is time-reversal symmetric,

σ-μ(2m-1)σμ(2m-1)=id,

then it is a (2m)-th order approximation of τμΦ.

Proof

The identity

O~=τ-μΦ(τμΦ-σμ(2m-1))(O~)+(τ-μΦ-σ-μ(2m-1))σμ(2m-1)(O~)+σ-μ(2m-1)σμ(2m-1)(O~)

and time-reversal symmetry imply that

τ-μΦ(τμΦ-σμ(2m-1))(O~)+(τ-μΦ-σ-μ(2m-1))σμ(2m-1)(O~)=0.

The derivative of order 2m of this equation at μ=0 reduces by (4.1) to

d2mdμ2mτμΦ-σμ(2m-1)(O~)μ=0+d2mdμ2mτ-μΦ-σ-μ(2m-1)(O~)μ=0=0,

which concludes the proof since the two derivatives of even order are equal.

Suzuki’s Ansatz

We now recall Suzuki’s inductive construction [16] of higher-order product formulae, translated in the present language of automorphisms. Since Sect. 3 provides a time reversal symmetric approximation of order 2, we shall use it to anchor the induction. For that, we first let σμ(2):=σμ(1) for any μR.

Let σμ(2m) be a time-reversal symmetric (2m)-th order product approximation of τμΦ in the sense of (4.1). A higher order approximation can be constructed as follows. Let r=2+13 be an odd integer and let

sm:=1(r-1)-(r-1)12m+1. 4.2

We immediately point out firstly that 2sm+(1-(r-1)sm)=1 and secondly that -1+(r-1)sm=sm(r-1)12m+1, and so

(r-1)sm2m+1+1-(r-1)sm2m+1=0. 4.3

We now define the following product automorphisms:

σμ(2m+1):=σsmμ(2m)σ(1-(r-1)sm)μ(2m)σsmμ(2m),σμ(2m+2):=σμ(2m+1). 4.4

This procedure provides, given an odd integer r, a family of automorphisms {σμ(2m+1):mN} parametrized by μR.

For the following result, recall the setting of Sect. 3.

Theorem 4.2

Let 1 and r=2+1. For all m1, {σs(m):sR} is time-reversal symmetric. Let nN, tR+, and μ=tn. Define

πt,n(m):=σμ(m)n.

Let ZPfin(Γ) and let b>0. There are positive constants Cv such that if OLb(Z), then

graphic file with name 23_2022_1207_Equ31_HTML.gif 4.5

with α=m,if m is evenm+1,if m is odd.

Here, Ψ is an interaction associated with O. The constants Cv depend on b,b,b1,,bk,k,r and the order m, but they are independent of Zn and t.

Proof

The symmetry for all m is immediate by (4.4) since σμ(1) is symmetric. The estimate holds by Theorem 3.1 for m=1,2, so we proceed by induction. We assume that σμ(2m) is a (2m)-th order approximation of τμΦ and that the claim of the theorem holds for 2m. We write as in (3.4)

τtΦ(O)-πt,n(2m+1)(O)=j=0n-1σμ(2m+1)j(τμΦ-σμ(2m+1))(τμΦ)n-j-1(O), 4.6

and proceed with an estimate on (τμΦ-σμ(2m+1))(O~) for an almost local observable O~L(Y). Here again, we decompose the interval [0,μ] into r=2+1 intervals according to (4.4) and obtain

τμΦ(O~)-σμ(2m+1)(O~)=j=0-1σsmμ(2m)jτsmμΦ-σsmμ(2m)τ((2-j-1)sm+s~m)μΦ(O~)+σsmμ(2m)τs~mμΦ-σs~mμ(2m)τsmμΦ(O~)+j=1σsmμ(2m)σs~mμ(2m)σsmμ(2m)j-1τsmμΦ-σsmμ(2m)τ(-j)smμΦ(O~)

where we denoted s~m=1-(r-1)sm. By the induction hypothesis, djdμjτμΦ(O~)-σμ(2m)(O~)μ=0=0 for all j=0,,2m. This and the above identity imply first of all that the same holds with σμ(2m+1) instead of σμ(2m), and secondly that

d2m+1dμ2m+1τμΦ(O~)-σμ(2m+1)(O~)μ=0=2sm2m+1+s~m2m+1d2m+1dν2m+1τνΦ(O~)-σν(2m)(O~)ν=0.

Since 2=r-1, this vanishes by (4.3), so that σμ(2m+1) is a (2m+1)-th order approximation. Since σμ(2m+1) is time-reversal symmetric we get from Proposition 4.1 that the (2m+2)-th derivative similarly vanishes at μ=0. Hence,

τμΦ(O~)-σμ(2m+1)(O~)=-Σμ2m+3d2m+3du2m+3σu(2m+1)τ-uΦτμΦ(O~)d2m+3u,

and we can proceed as in the proof of Theorem 3.1.

There are rm(2k-2)+1 factors in σu(2m+1) and hence a total of 22m+3(rm(k-1)+1)2m+3 terms in the derivative, each of them involving a combination of 2m+3 derivations from {δΦ}{δj:j=1,,k}. If u(m) is the total time (in absolute value) involved in σu(m) (for example, u(1)=u(2)=ku), then u(2m+1)=(r-1)smu(2m)+(1-(r-1)sm)u(2m)=(2(r-1)sm-1)u(2m) since 1-(r-1)sm=-sm(r-1)12m+1<0. Hence,

u(2m+1)=(j=1m(2(r-1)sj-1))ku.

Setting O~=(τμΦ)n-j-1(O), we conclude by Propositions 2.7 and 2.11 that

graphic file with name 23_2022_1207_Equ93_HTML.gif

for any b~<min{b,2-pb,2-pb1,,2-pbk} where Cc depend on k, the rates b,b,b1,,bk as well as the choice of r and m. Integrating this over the simplex Σμ2m+3 and gathering all constants yields

graphic file with name 23_2022_1207_Equ94_HTML.gif

where the constant v depends again on k,b,b,b1,,bk,r,m. Since there are n such terms in (4.6), we have now proved that (4.5) holds for 2m+1 and therefore also for 2m+2 by the definition (4.4) of σμ(2m+2), concluding the induction.

Remark 4.3

The theorem should not be misinterpreted as an invitation to take a limit in m. Rather, it provides for each fixed m a formula that scales as n-m as n, while t is arbitrary but fixed. As can be read from the proof, the constant C scales as rm2ermm!, underlying the importance of picking a small possible r, namely r=3,5.

In the definition (4.4), the interval of size μ is split into r=2+1 subintervals of width smμ (for 2 of them) and (1-(r-1)sm) (for the middle one). As is clear in the proof (see also [16]) this choice is largely arbitrary. The claim of the theorem would continue to hold if these r coefficients were replaced by r other real coefficients {pm,j:j{1,,r}} provided pm,j=pm,r+1-j for all j=1,, as well as

j=1rpm,j=1,andj=1rpm,j2m+1=0. 4.7

Reality of the coefficients ensures that πt,n(m) are automorphisms and the symmetric choice of coefficient on either side of pm,+1 is for time-reversal symmetry. Clearly, there is no non-trivial positive solution of these equations, and (4.4) indeed has pm,+1=-sm(r-1)12m+1<0, as already pointed out. The appearance of such a negative time evolutions to improve the order of the approximation is reminiscent of the decomposition proposed in [21].

Remark 4.4

If r=3, then |sm|,|1-(r-1)sm|>1 with limmsm=1, limm(1-(r-1)sm)=-1 and so the individual time intervals in the product scale as tn, independently of m for large m. On the other hand, if r=5,7,, then |sm|,|1-(r-1)sm|<1 with limmsm=1r-2 and limm(1-(r-1)sm)=-1r-2. Hence, the individual time intervals in the product scale as 1(r-2)mtn. The inductive construction and the appearance of negative signs yield a fractal path in the time domain. This behavior—already noted in [16]—is exhibited in Fig. 1.

Quantum Simulation: Decomposition in Commuting Hamiltonians

Finite Depth Unitary Quantum Circuits

So far, the results are completely general in the sense that they do not require any assumption on the Hamiltonians Kj,ΛL beyond their locality. In concrete applications however, the choice of decomposition of H is determined by the requirement that each Kj,Λ is a sum of terms acting on spatially disjoint subsets of the lattice and hence mutually commuting. In the simple example of a one-dimensional lattice with nearest-neighbor interaction, namely Φ(X)=0 if X{x,x+1} for some xZ, one would choose Φ1,Φ2 to be supported on pairs of neighboring sites {2x,2x+1}, respectively {2x+1,2x+2}. Each dynamics τtΦ1,τtΦ2 is then strictly local and corresponds to the action of quantum gates in parallel, as illustrated in Fig. 2.

Fig. 2.

Fig. 2

A cartoon of the action of a finite depth quantum circuit on a 1-dimensional spin chain, in blue. Since each layer is generated by a commuting Hamiltonian, it is a product of commuting unitaries. Propagation is induced by the alternating action of overlapping layers

In this setting where a product formula is referred to as a finite depth unitary quantum circuit, Theorem 4.2 provides a quantitative bound on the error in the approximation of the full dynamics τt by a circuit. The number of factors in the product automorphism is referred to as the depth of the circuit. We point out that the following is valid in arbitrary spatial dimensions.

Corollary 5.1

Let Φ be a finite range interaction, namely Φ(X)=0 if D(X)>R for a fixed R>0. Let ZPfin(Γ) and OL(Z). For any mN, there is a finite depth unitary quantum circuit of depth O(ϵ-1m) approximating τtΦ(O) within error ϵ, as ϵ0.

Proof

The depth h of the circuit πt,n(m) is proportional to n. Hence, imposing that the bound (4.5) is less than ϵ yields the claim, since αm.

With (4.5), we further point out that, as should be expected, the depth of the circuit diverges as |Z|1m with the volume of the support Z. The depth is furthermore exponential in time, but with a rate vm that is smaller for a higher order product automorphism. The depth of the circuit proposed in [21] scales as Otpolylog(Ntϵ-1), namely better in the total time. However, this is divergent in the size of the system N, and uses Opolylog(Ntϵ-1) additional ancilla qubits to achieve the scaling.

In the context of finite range interactions and for a strictly local observable, one may wish to decompose the telescopic sum (3.4) rather as

τtΦ(O)-πt,n(1)(O)=j=0n-1τμΦj(τμΦ-σμ(1))(σμ(1))n-j-1(O), 5.1

since (σμ(1))n-j-1(O) is strictly local. If the Kj,Λ’s are all commuting Hamiltonians, all factors in (σμ(1))n-j-1 induce no propagation beyond the range R of the interactions so that (σμ(1))n-j-1(O) is strictly supported in Z((n-j-1)(2k-1)R) and of operator norm O. However, while the action of all derivations δΦ,δj is again strictly local, increasing the support by R, the bound Inline graphic valid for an observable O~AY yields an estimate

C|Z|3n3dμ3O,

where d is the spatial dimension, for every term of (5.1). One would therefore obtain τtΦ(O)-πt,n(1)(O)=O(n3d-2), emphasizing the need for a careful use of the Lieb–Robinson bound on the very short time intervals of width O(n-1). This also shows that the physical propagation is in fact much slower than what can be read off from the diagram in Fig. 2.

Long Range Interactions

While long range interactions pose no issue for our main theorem, Theorem 4.2, they cannot be decomposed as a finite depth unitary quantum circuit as just described. A necessary intermediate step is a truncation to finite range interaction. We now comment the error induced by neglecting the interactions between far enough lattice points.

Let ΦBb and ΦRBb be defined by

ΦR(X)=Φ(X), ifD(X)R0, otherwise.

Then, for any b<b,

XxΦR(X)-Φ(X)ξb(D(X))=Xx:D(X)>RΦ(X)ξb(D(X))ξb-b(D(X))

so that Inline graphic. Moreover,

τtΦR(O)-τtΦ(O)=0tτsΦRδΦR-δΦ(τt-sΦ(O))ds

so that if OLb(Z) with associated interaction Ψ,

graphic file with name 23_2022_1207_Equ95_HTML.gif

by Propositions 2.7,2.11 and Lemma 2.4, where b~<min{b,2-pb}, since δΦR-δΦ=δΦR-Φ. In other words, the error associated with the truncation of the interaction is superpolynomially small in the range R. In order to achieve an error O(ϵ), the range must be chosen as R=O(ξb-b-1(ϵ))=O((logϵ-1b-b)1p). A commuting decomposition for an interaction of range R requires of the order of k=Rd terms in d dimensions, and since the constant in the Trotter error is exponentially large in the number of terms, (4.5) and the lower bound exp(logϵ-1b-b)dpϵ-1b-b yield a circuit depth h=Oϵ-cm for a constant c>1 that depends on b and b.

Acknowledgements

Sven Bachmann is supported by NSERC of Canada. S.B. would like to thank Marcel Schaub for introducing the specific interaction norm used in this work. Markus Lange was supported by NSERC of Canada and also acknowledges financial support from the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation programme (ERC StG MaMBoQ, Grant Agreement No. 802901).

Appendix A. Lieb–Robinson Bounds

In this section, we show that the dynamics generated by an interactions in the class B=b>0Bb satisfy a Lieb–Robinson bound. The Banach spaces Bb of interactions with finite Inline graphic-norm are defined in Sect. 2, where we also defined the local Hamiltonian HL associated with ΦB.

Proposition A.1

Let ΦBb and let ΛPfin(Γ). Let X,YΛ with XY= and AAX,BAY. For any b<b, we have that

[eitHΛAe-itHΛ,B]AB2min{|X|,|Y|}Mb-beκ(b,b)|t|-1ξb(d(X,Y))

where Inline graphic and Mϵ:=sup{|X|ξϵ(D(X)):XPfin(Γ)}.

Proof

We denote τtΛ(A)=eitHΛAe-itHΛ and let f(t)=[τtΛ(A),B]. Then f(t)=ZX[iτtΛ([Φ(Z),A]),B] and by Jacobi’s identity,

f(t)=-i[f(t),ZXτtΛ(Φ(Z))]-ZXi[[B,τtΛ(Φ(Z))],τtΛ(A)].

The first term being norm preserving, we conclude that

f(t)A[A,B]A+2ZXΦ(Z)0|t|[τsΛ(Φ(Z)),B]Φ(Z)ds,

see Lemma A.1 in [26], namely

CB(X,t)CB(X,0)+2ZXΦ(Z)0|t|CB(Z,s)ds

where CB(X,t)=sup{A-1[τtΛ(A),B]:AAX}. Iterating this step, it follows that

CB(X,t)CB(X,0)+n=12n|t|nn!ZnZn-1Z1XCB(Zn,t)j=1nΦ(Zj).

Since CB(Z,0)=0 whenever ZY= and CB(Z,0)2B otherwise, we conclude that

CB(X,t)2BδX,Y+2Bn=12n|t|nn!an A.1

where δX,Y=0 if XY= and δX,Y=1 otherwise, and we denote an=an(X,Y)=ZnZn-1ZnYZ1Xj=1nΦ(Zj). We claim that

graphic file with name 23_2022_1207_Equ36_HTML.gif A.2

First of all,

graphic file with name 23_2022_1207_Equ96_HTML.gif

by monotonicity of ξb, since d(x,Y)D(Z). The same inequality holds with X and Y exchanged. This is (A.2) for n=1 since b<b implies that Inline graphic. We continue by induction, obtaining

graphic file with name 23_2022_1207_Equ97_HTML.gif

We factorize ξb(r)=ξb-b(r)ξb(r) and bound

ξb(D(Z1))ξb(d(z,Y))ξb(d(x,z)+d(z,Y))ξb(d(x,Y))

by monotonicity and logarithmic subadditivity, since D(Z1)d(x,z). With this,

graphic file with name 23_2022_1207_Equ98_HTML.gif

as announced.

The sets XY appearing symmetrically in the estimates above, the right-hand side of (A.2) can be improved to the minimum of xXξb(d(x,Y)) and yYξb(d(y,X)). It remains to use

min{xXξb(d(x,Y)),yYξb(d(y,X))}min{|X|,|Y|}ξb(d(X,Y))

and to plug the resulting bound into (A.1) to get

graphic file with name 23_2022_1207_Equ99_HTML.gif

If XY=, this reads

graphic file with name 23_2022_1207_Equ100_HTML.gif

which is the claim of the proposition.

The proof yields the following bound that is valid for any XY not necessarily disjoint:

[eitHΛAe-itHΛ,B]AB2ABMb-bgb,b(t)min{xXξb(d(x,Y)),yYξb(d(y,X))}

where gb,b(t)=eκ(b,b)|t|-(1-δX,Y).

As pointed out earlier, the proof runs along the general lines of [26]. It only differs in the estimate of an because of the choice of a different norm and a slightly more general class of interactions. In particular, in the case p<1, the subexponential decay in d(XY) has its origin in the subexponential decay of the interaction ΦBb.

It is also a well-known fact that the Lieb–Robinson bound yields the existence of the dynamics in the infinite volume limit. We provide here a short proof in the specific setting of this paper. We now consider an increasing sequence of subsets Λn that is absorbing in the sense that for any xΓ, there is N such that xΛn for all nN.

Corollary A.2

Let ΦBb, let XPfin(Γ) and AAX. For all n such that XΛn, let τtn(A)=eitHΛnAe-itHΛn. The sequence τtn(A) is convergent to τt(A). Moreover, tτt extends to a strongly continuous group of automorphisms on A.

Proof

We note that if n>m, then

τ-tmτtn(A)-A=0tτ-smi[HΛn-HΛm,τsn(A)]ds

Since HΛn-HΛm=Z(Λn\Λm)Φ(Z), we conclude that

τtn(A)-τtm(A)Z(Λn\Λm)0|t|[Φ(Z),τsn(A)]ds

The Lieb–Robinson bound now yields

Z(Λn\Λm)[Φ(Z),τsn(A)]2Aeκ(b,b)|s|Mb-bZ(Λn\Λm)Φ(Z)xXξb(d(x,Z))

for any b<b. The sum over Z can be upper bounded by zΛn\ΛmZz. We introduce the factor ξb(D(Z)) and use the logarithmic superadditivity of ξb and finally the bound d(x,z)d(x,Z)+D(Z) to get

Z(Λn\Λm)Φ(Z)xXξb(d(x,Z))zΛn\ΛmZzΦ(Z)ξb(D(Z))xXξb(d(x,Z)+D(Z))

Note that ΦBb implies that Inline graphic for all b<b. It remains to use the bound d(x,z)d(x,Z)+D(Z) to get

graphic file with name 23_2022_1207_Equ101_HTML.gif

The summability of ξb and the fact that X is a finite set implies that the sum vanishes as n,m. In other words, (τtn(A))n is Cauchy sequence in A (uniformly in t for t in a compact set) and hence convergent.

The limiting map τt is bounded (since τt(A)=A) on the dense set of local observables. Therefore, it extends to a bounded linear map on A. The group property follows from that of the finite volume approximations.

Funding Information

Open access funding provided by Scuola Internazionale Superiore di Studi Avanzati - SISSA within the CRUI-CARE Agreement.

Footnotes

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Contributor Information

Sven Bachmann, Email: sbach@math.ubc.ca.

Markus Lange, Email: mlange@sissa.it.

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