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Bulletin of the American Mathematical Society

The Wiener integral and perturbation theory of the Schrödinger operator

Donald G. Babbitt

Published Jan 1, 1964• 8 citations
Publisher

Abstract

Introduction.It has been known for a long time that the Wiener integral can be effectively used in studying various properties of the Schrödinger operator A-V(x) where A = d 2 /dxl + ' ' ' +d 2 /dx 2 n , the Laplacian in m-dimensional Euclidean space E m and V(x) is a realvalued function on E m satisfying certain regularity conditions.For example, see works by Kac [6], Getoor [2; 3], Ray [9] and Nelson [8].Getoor [2] was the first to point out the connection between a Wiener type integral and the perturbation theory of certain operators of the form Q -V(x) where 0 is the infinitesimal generator of a homogeneous Markov process on a locally compact metric space X and V(x) is a real-valued Borel measurable function on X, bounded on bounded sets and bounded below everywhere.When X -E m and the Markov process is a suitably normed Wiener process, 2 12= A and his results apply to the Schrödinger operator A-V(x).In this paper we will only consider the case X = E m and Q -A but V(x) will be allowed to have certain singularities precluded by Getoor's conditions on V.For example, we can consider the perturbation of A+e/r, where X = E Z and r= (x 2 -\-y 2 +z 2 ) 112 , i.e., the Schrödinger operator with attractive Coulomb potential.In particular the essential condition on V(x) is that A -V is semi-bounded above on a certain dense domain D in L 2 (£ w ), the Hubert space of complexvalued square summable function on E m .z Main results.In this section we will introduce some notation, state our theorems and corollaries, sketch one proof and remark on the remaining proofs.Co(E m ) will denote the space of infinitely differentiable, complexvalued functions on E m with compact support.Let L l ™(E m ) denote 1 The preparation of this paper was sponsored in part by the National Science Foundation.2 In particular we assume a 2 = 2 where a 2 is the variance per unit of time of the Wiener process.See [6]. DEFINITION. A symmetric operator A with domain DÇ-L2(E m) is said to be semibounded from above if there exists a real number k< oo such that (A^, ^)^k{\p, \j/) s&||^|| 2 for all ^££> and where (</>, xl/)=f<f>^dx.

DOI
10.1090/s0002-9904-1964-11106-x

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The Wiener integral and the Schrödinger operator

Donald G. Babbitt

where x = (x1, * , xn) C Rn, bj(x), j = 1, * , n and V(x) are real-valued functions on Rn, aj = d/ (dx1), i = V 1 and CZ Z), a dense linear subset of L2(Rn). i) is called the domain of A (b; V; t) and is denoted by t (A). The domain ?) and/or (b; V) will be omitted from A(b; V; Z) when no confusion should arise. In practice, the spectral resolution of a certain self-adjoint extension, A, of A is important. One important technique used in studying pertinent properties of the spectral resolution of A(b; V;Z) is to represent e Q-L2(Rn), by the Wiener integral of a certain functional F(b; V; O) and then to translate the (at least formally) transparent properties of this integral into less transparent but important properties of A. For example, see [14] and [ 18]. This functional integral representation has been shown to be rigorously valid for the case where bj(x) = 0 (j = 1, * *,*n), and where V(x) is Borel measurable and bounded from below. Unfortunately, A is only given implicitly. See [ 8], [ 9], and [ 10] . It is the purpose of this paper to extend the validity of the functional integral representation of e-At% to the case where b(x) = (b1(x) , .., bn(x)) is a sufficiently smooth vector field which doesn't grow too rapidly at infinity, and where V(x) can have certain negative singularities. Moreover, A will be given explicitly(). The Schrodinger operator containing (normal) Zeeman effect and Coulomb interaction terms will be included. ??2, 3, and 4 will give a brief account of functional integration, semigroup theory and quadratic forms on a Hilbert space, respectively. They will be needed for the main body of the paper consisting of ??5 and 6. ?5 will give the statement of the theorems along with certain remarks. ?6 will contain the proofs of the theorems.

Transactions of the American Mathematical Society•Jan 1, 1965•6 citations

Approximate Functional Integral Methods in Statistical Mechanics. I. Moment Expansions

Armand Siegel, Terence Burke

In this paper, four distinct ideas are combined, which under a wide range of circumstances can give very rapidly converging series expansions for functional integrals. (1) Expansion of the functional being integrated in functional Taylor series. In the familiar case arising in quantum statistical mechanics, that of the Wiener integral of exp[−∫V(x(t))dt],V(x) being the perturbing potential, this is equivalent to expanding the characteristic functional of the probability functional of V(x(t)) in central moments of V(x(t)). The lowest-order term of the series is the approximation obtained by Feynman and Hibbs through a variational method. (2) Transfer of the harmonic term of the potential, when the functional integral is the quantum-statistical density matrix (Green's function of the Bloch equation), to the weighting function. This transforms the functional integral from a Wiener to an Uhlenbeck-Ornstein integral. The formal expressions for the terms of the expansion are somewhat more complicated, but they can be worked out, and the result is a great improvement in the speed of convergence of the series with decreasing temperature and/or decreasing relative magnitude of the anharmonic part of the potential. (3) ``Reservation of variables'' in the integration. This amounts to breaking the averaging process down into an average over subsets of the distributed random function (conditional average), followed by an averaging of these averages. Any step of this kind (it may be repeated within the subsets, etc.) gives an improvement of accuracy. (4) When the quantity being evaluated through functional integration is the partition function, the device introduced by Feynman and Hibbs, of interchanging the functional integration with the integration of the Green's function over the equated initial and final configuration-space points, may be combined with the above techniques. This eliminates one integration in the terms of the expansion and seems to improve accuracy at the same time. The general series obtained is correlated with more conventional operator techniques of quantum-mechanical perturbation theory, in order to answer the perennial question, does the path-integral method bring with it anything that could not be derived by other methods? It is in some sense a Feynman-Dyson expansion of the Green's function, but one that is further modified mathematically in a way characteristic only of the path-integral point of view, and which, moreover, improves its accuracy. It thus appears unlikely that the result is merely one of standard type disguised as a functional integral result. Sample numerical calculations are given to assay the accuracy of the methods, which are shown to compare very favorably with the traditional approximation of finite subdivision of the time interval.

Journal of Mathematical Physics•Nov 1, 1972•13 citations

Mathematics of the Feynman path integral

Vassili Nikitich Kolokoltsov

(and its generalisations that include magnetic fields) can be roughly divided into two classes. In the aproaches of the first class that we shall not discuss here in detail the Feynman integral is not supposed to be a genuine integral, but is specified as some generalised functional on an appropriate space of functions, which can be defined, for example, as the limit of certain discrete approximations (see e.g. [16], [44] and more recent papers [24], [25], [34]), by means of analytical continuation (see e.g. [26], [23] and references therein), by extensions of Parceval’s identity and by related axiomatic definitions (see [2], [5], [30], [11], [42] and references therein) or by means of the white noise analysis (see [22]), see also [46] for the discussion of path integral applied to the Dirac equation. These approaches still cover only a very restrictive class of potentials, for example, singular potentials were considered only by white noise analysis approach but only in one-dimensional case (see e.g. [6] and references therein). In the approaches of the second class, one tries to define the infinite-dimensional Feynmann integral as a genuine integral over a bona fide σ-additive measure on an appropriate space of trajectories. The first attempt made in [19] to construct such a measure was erronious and led to understanding that there is no direct generalisation of Wiener measure that can give an analog of FeynmanKac formula for the case of Schrodinger operators. A correct construction of the Feynman integral in terms of the Wiener measure was proposed in [15] and was based on the idea of the rotation of the classical trajectories in complex

•Jan 1, 2001•2 citations

A Thermodynamic Formalism for Density Matrices in Quantum Information

Alexandre Baraviera, Carlos F. Lardizabal, Artur Oscar Lopes +1 more

We show that such operator admits an eigenvalue β and an associated eigenstate ρβ, that is, one satisfying ℒH(ρβ) = βρβ. Our work is inspired by the results presented in [16] and [21]. We would like to thank these authors for supplying us with the corresponding references. It is well-known that completely positive mappings (operators) acting on density matrices are of great importance in Quantum Computing. These operators can be written in the Stinespring-Kraus form (see Section 12). Also, a nice exposition on the interplay of Ergodic Theory and Quantum Information is presented in [3]. The initial part of our work aims to present some of the definitions and concepts that are not very well-known (at least for the general audience of people in Dynamical Systems) in a systematic way. We present the main basic definitions which are necessary to understand the theory. However, we do not have the intention of exhausting what is already known. We believe that the theoretical results presented here can be useful as a general tool to understand problems in Quantum Computing. Several examples are presented in the text. We believe that this will help the reader to understand some of the main issues of the theory. In order to simplify the notation, we will present most of our results for the case of matrices of order 2. In Sections 2 and 3, we present some basic definitions and examples, and we show some preliminary relations of our setting to the classical Thermodynamic Formalism. In Section 4, we present an eigenvalue problem for non-normalized Ruelle operators which will be required later. Some properties and concepts about density matrices and Ruelle operators are presented in Sections 6 and 7. Sections 8 and 9 are dedicated to the introduction of some different kinds of entropy that were already known but do not have a stationary character. In Section 10, we introduce the concept of stationary entropy for measures defined on the set of density matrices. In Section 11, we compare this definition with the usual one for Markov Chains. Section 12 is dedicated to motivate the interest on pressure and the capacity-cost function. Sections 13, 14, 15, and 16 are dedicated to the presentation of our main results on pressure, important inequalities, examples, and its relation with the classical theory of Thermodynamic Formalism. In [1], we present a general exposition (describing the setting we consider here) where we omit proofs, but provide many examples. We believe that paper will help to complement the present paper for the reader which is a newcomer in the area. We also present there some basic results concerning the discrete Wigner measure. In [2], we propose a different concept of entropy which is also a generalization of the classical one. We also describe some properties of the Quantum Stochastic Process associated to the Quantum Iterated Function System. This work is part of the thesis dissertation of C. F. Lardizabal in Prog. Pos-Grad. Mat. UFRGS (Brazil). A QIFS is homogeneous if pi and Fipi are affine mappings, ⁠. We recall the definition of the integral above in Section 5. If a QIFS (6) is homogeneous and hyperbolic, then the associated Markov operator admits a unique invariant measure μ. Such invariant measure determines a unique Λ-invariant state ρ ∈ℳN, given by (13). See [16], [21] for the proof. Now, we make a few considerations about the Ruelle operator ℒ defined before. In particular, we show that Perron’s classic eigenvalue problem is a particular case of the problem for the operator ℒ acting on matrices. Let Now, we consider the following problem. Let A different analysis in the quantum setting which is related to Perron’s theorem is presented in [6]. We point out that this operator is completely general. In an analogy with the classical case, we can say it corresponds to the general Perron Theorem for positive matrices (having positive eigenvalues which can be bigger or smaller than one); on the other hand, the setting described in [16], [21] ”basically” considers the analogous case of the Perron Theorem for stochastic matrices. We need a result in this form in order to better understand the Pressure problem which will be described later. There exists ρ ∈ℳN and β > 0 such that ℒW, V(ρ) = βρ. The value β is obtained explicitly: β = tr(ℒW, V(ρ)). We recall here a few basic definitions. For more details, see [16] and [21]. Let X be a metric space. Let (V, +, ⋅) be a real vector space, and τ a topology on V . We say that (V, +, ⋅; τ) is a topological vector space if it is Hausdorff and if the operations + and ⋅ are continuous. For instance, in the context of density matrices, we will consider V as the space of hermitian operators ℋN and X will be the space of density matrices ℳN. It is known that if we have a compact metric space X, V is a locally convex space and f : X → V is a continuous function such that is compact then the integral of f in X exists and belongs to ⁠. We will also use the following well-known result, the barycentric formula: In the context of QIFS, we can take ⁠. Let Z ⊂ V∗be a nonempty vector subspace of V∗. The smallest topology in V such that every functional defined in Z is continuous on that topology, denoted by σ(V, Z), turns V into a locally convex space. In particular, σ(V, V∗) is the weak topology in V . If is a normed space, then σ(V∗, V ) is called a weak∗ topology in V∗(we identify V with a subspace of V∗∗). We also have that ⁠, where τ is the weak∗ topology (and which is equal to the Euclidean, see [21]) is a metrizable compact structure. In this case, we have that ⁠. An operator is submarkovian if Q(αx) = αQ(x) for all x, y ∈ V+, α > 0. Every submarkovian operator can be extended in a unique way to a positive linear contraction on V , see [21]. Let a Markov operator and let ⁠, be submarkovian operators such that ⁠. We say that (P, {Pi}i = 1k) is a Markov pair. From [21], we know that there is a 1–1 correspondence between homogeneous IFS and Markov pairs. Let be an IFS, Ψ a linear functional on X. Then, ⁠, where is given by (43). Let be an IFS and let ρ0 ∈ X. Then, Λ(ρ0) = ρ0 if and only if ⁠, for all Ψ linear functional. Let be an IFS. Let ρ0 ∈ X such that Fi(ρ0) = ρ0, ⁠. Then, ⁠. Let ρ0 ∈ X such that ⁠, then Λ(ρ0) = ρ0. Let be a homogeneous IFS, ⁠. Let ρν be the barycenter of a probability measure ν. Then, Λ(ρν) is the barycenter of ⁠, where is the associated Markov operator. Let μ be an invariant probability measure for ⁠. Then, the barycenter of μ, denoted by ρμ, is a fixed point of Λ. In order to prove uniqueness in item (2) above, it would be necessary to assume hyperbolicity [20]. It is known that without this hypothesis even in the classical case (for transformations for instance), it can happen the phenomena of phase transition (two or more probabilities which are solutions) [23] [9]. The present setting contains the classical case and therefore in general there is no uniqueness. The following lemma, a simple variation from results seen in [21], specifies a condition we need in order to obtain a fixed point for Λ from a certain measure which is invariant for the Markov operator ⁠. Let be an IFS which admits an attractive invariant measure μ for ⁠. Then limn→∞Λn(ρ0) = ρμ, for every ρ0 ∈ℳN, where ρμ is the barycenter of μ. In lemma 4, we have a general QIFS and an attractive invariant μ, then μ is the unique invariant measure, an easy consequence of attractivity [21]. In general, we will be interested in QIFS which has an attractive invariant measure. This will follow if we assume hyperbolicity. Let ℱ be an IFS and let g : B → ℝ. Then, for n ∈ ℕ, If g is concave (resp. convex, affine) then, (resp. ⁠, ⁠). If is a fixed point for Λ then, the sequence is decreasing (resp. increasing, constant) ifg is concave (resp. convex, affine). Also suppose that ℱ is homogeneous. Then, If g is concave (resp. convex, affine), then, is concave (resp. convex, affine) . Let ⁠. Then the sequences and are nonnegative, decreasing, and have the same limit. The following result gives us an integral formula for entropy and also a relation between the entropies defined before. We write where is the convex hull of the set of accumulation points of and is the set S(μ) associated to the Markov operator induced by the IFS ℱ. For the definition of compact structure and (C, τ)-continuity, see [21]. The analogous result for hyperbolic IFS is the following. hV(W) ≥ 0, for every family Wi of linear operators satisfying ⁠. To conclude that hV(W) ≥ 0, we have to show that tr(WjViρWVi∗Wj∗) ≤tr(ViρWVi∗). From ⁠, we get Remark For any fixed dynamics V , if we have that Wm∗Wm = I for some m then the remaining pi must be zero, because of the condition ⁠. In this case, we have hV(W) = 0. We also have that hV(W) ≤ log k and for any given dynamics V , hV(W) attains the maximum if we choose ⁠, for each i, where I denotes the identity operator.□ Note that by the calculations made in Section 9, we have ⁠, where ⁠. Let Vi, Wi be linear operators, ⁠, ⁠. Suppose the Vi are fixed and that they determine a dynamics given by Fi : ℳN →ℳN, ⁠. Define Under the lemma hypothesis, we have limn→∞ΛPn(ρ) = Λπ(ρ), where π = limn→∞Pn is the stochastic matrix which has all columns equal to the stationary vector for P. In [19], is it shown that the additivity conjecture is equivalent to the minimum output entropy conjecture and in [11], a counterexample is obtained for this last conjecture. The number ξ(ℰ) is the Holevo information of the ensemble given by ⁠. We see that (85) holds by applying the Holevo bound for the von Neumann entropy (see [17]) together with (80) and (82). We are also interested in a different class of problems which concern maximization (and not minimization) of entropy plus a given potential (a cost) [10], [12], [13]. Let Vi, Wi, Hi be linear operators, ⁠, with and let From this point, we can perform two calculations. First, considering (92) we will take the trace of such equation in order to obtain a scalar equation. In spite of the fact that taking the trace makes us lose part of the information given by the eigenvector equation, we are still able to obtain a version of what we will call the basic inequality, which can be seen as a QIFS version of the variational principle of pressure. However, there is an algebraic drawback to this approach, namely, that we will not be able to recover the classic variational problem as a particular case of such inequality (such disadvantage is a consequence of taking the trace, clearly). The second calculation begins at equation (93), the coordinate equations associated to the matrix equation for the eigenvectors. In this case, we also obtain a basic inequality, but then we will have the classic variational problem of pressure as a particular case. An important question which is of our interest, regarding both calculations mentioned above, is to ask whether it is possible for a given system to attain its maximum pressure. It is not clear that given any dynamics, we can obtain a measure reaching such a maximum. With respect to our context, we will remark a natural condition on the dynamics which allows us to determine expressions for the measure which maximizes the pressure. Now, we perform the calculations mentioned above. Let A = (aij) be a matrix with positive entries and consider the problem of finding its eigenvalues and eigenvectors. Then from A natural question is to ask whether the maximum among normalized Wi, for the pressure problem associated to a given potential is realized as the logarithm of the main eigenvalue of a certain Ruelle operator associated to the potential Hi, This problem will be considered in this section and also in the next one. We call inequality (149) the classic inequality associated to the matrix A with positive entries, and stochastic matrix Q. As before, ρβ is an eigenstate of ℒH(ρ) and ρW is the barycenter of the unique attractive, invariant measure for the Markov operator associated to the QIFS ℱW. Given the classic inequality (149), we want to compare it to the basic inequality (150). More precisely, we would like to obtain operators Vi that satisfy the following: given a matrix A with positive entries and a stochastic matrix Q, there are Hi and Wi such that inequality (150) becomes inequality (149). We have the following proposition. We use the following lemma. Considering the QIFS setting, we defined a concept of entropy and a Ruelle operator in such a way that we are able to get some analogous results to the classical Thermodynamic Formalism. Such Ruelle operator admits a positive eigenvalue, which gives us an upper bound for the pressure (entropy plus a potential) associated to the QIFS. Our configuration space is the set of density matrices. We did not consider the usual space of symbols or a shift operator, as it is assumed in the Ruelle-Perron-Frobenius theory. We have replaced the dynamics given by the shift with the one given by the inverse branches of the iterated functions (which are defined by a set of operators). The references [16] and [21] are of fundamental importance in our investigation. A starting point for further investigation could be to study more properties of the QIFS entropy, such as convexity and subadditivity. Also, a natural question is to ask whether it is possible to consider a QIFS acting in an infinite tensor product of finite Hilbert spaces which would be the analogous of considering the full Bernoulli space. In a forthcoming paper we are going to consider relative entropies and quantum conditional expectations. A. O. Lopes: Partially supported by CNPq, PRONEX – Sistemas Dinâmicos, INCT, and beneficiary of CAPES financial support. C. F. Lardizabal: Supported by CAPES PhD scholarship. M. Terra Cunha: Partially supported by CNPq and FAPEMIG.

arXiv:0911.0179•Applied Mathematics Research eXpress•Apr 15, 2010•9 citations

Notes on the Feynman integral. III. The Schroedinger equation

Gerald Johnson, David Skoug

In the setting of Cameron and Storvick's recent theory we show that the solution of an integral equation formally equivalent to the Schroedinger equation is expressible as the analytic Feynman integral of a function on ^-dimensional Wiener space of the form F(X) = exp{/ o '0(ίs, X(s) + I) ds}ψ(X(t\+ ?).Here Xis an Revalued continuous function on [0, /] such that Z(0) = 0, ?G R\ and ψ and θ(s, ) are Fourier-Stieltjes transforms.REMARK 3.2.Corollary 3.2 and Lemma 3.2 will yield the measurability properties that we will need as we continue.For example, let θ be in % and for λ > 0 and fin W let G: [0, ί 0 ] X C[0, t 0 ] -> C be defined by The Pacific

Pacific Journal of Mathematics•Apr 1, 1983•45 citations

On Nelson processes with boundary condition

Minoru W. Yoshida

In Nelson [10], it is shown that for each solution of a Schr\"odinger equation $\phi(x, t),$ $x\in R^{d},$ $t\geqq 0$ , with $\Vert\phi\Vert=1$ , there exists a diffusion process which has ... probability density at time $t$ given byMore precisely the following is shown in [10]: suppose that we are given a real valued function $V(x),$ $x\in R^{d}$ , and a complex valued function $\phi_{0}(x),$ $x\in R^{d}$ , with $\Vert\phi_{0}\Vert=1$ , and consider the Schrodinger equation Then, under the assumption that $\phi$ and $\tilde{b}$ are sufficiently regular, there exists a diffusion process $\{X_{t}\},$ $t\geqq 0$ , with initial density $|\phi_{0}(x)|^{2}$ and generator $(1/2)\Delta+\tilde{b}(x, t)\cdot\nabla$ such that the probability density of this diffusion at time $t\geqq 0$ is $|\phi(x, t)|^{2}$ .In addition, in [10] it is also shown that the diffusion process $\{X_{t}\},$ $t\geqq 0$ , solves the second order stochastic differential equation $(1/2)(D_{*}D+DD_{*})X_{t}=-\nabla V(X_{t})$ , where $D$ and $D_{*}$ are Nelson's forward and backward stochastic derivatives.Generally sPeaking, the functions $\phi$ and $\tilde{b}$ may be singular, and the existence of the corresponding diffusion process must be studied carefully.Carlen $[1, 2]$ , Meyer and Zheng [8] and Nagasawa [9] considered rigorously the construction of a diffusion process with a given initial density and a generator.$ln$ order to construct a Markovian propagator for the diffusion process, Carlen $[1, 2]$ used partial differential equation methods.Meyer and Zheng [8] restricted themselves to the case when $\phi(x, t)=\phi_{0}(x),$ $\forall_{t\geqq 0}$ and considered the construction of the diffusion process through the relationships between Markov processes and Dirichlet forms.We may consult Nagasawa [9] about recent developments of this area.In Carlen [1], it is assumed that $V(x),$ $x\in R^{d}$ , is a Rellich class potential and $\Vert\nabla\phi_{0}\Vert^{2}<\infty$ , and shown that there exists a diffusion process $\{X_{t}\},$ $t\geqq 0$ , which has the probability density $|\phi(x, t)|^{2}$ at time $t\geqq 0$ and admits the representation

Journal of the Mathematical Society of Japan•Apr 1, 1990•0 citations
Introduction.It has been known for a long time that the Wiener integral can be effectively used in studying various properties of the Schrödinger operator A-V(x) where A = d 2 /dxl + ' ' ' +d 2 /dx 2 n , the Laplacian in m-dimensional Euclidean space E m and V(x) is a realvalued function on E m satisfying certain regularity conditions.For example, see works by Kac [6], Getoor [2; 3], Ray [9] and Nelson [8].Getoor [2] was the first to point out the connection between a Wiener type integral and the perturbation theory of certain operators of the form Q -V(x) where 0 is the infinitesimal generator of a homogeneous Markov process on a locally compact metric space X and V(x) is a real-valued Borel measurable function on X, bounded on bounded sets and bounded below everywhere.When X -E m and the Markov process is a suitably normed Wiener process, 2 12= A and his results apply to the Schrödinger operator A-V(x).In this paper we will only consider the case X = E m and Q -A but V(x) will be allowed to have certain singularities precluded by Getoor's conditions on V.For example, we can consider the perturbation of A+e/r, where X = E Z and r= (x 2 --y 2 +z 2 ) 112 , i.e., the Schrödinger operator with attractive Coulomb potential.In particular the essential condition on V(x) is that A -V is semi-bounded above on a certain dense domain D in L 2 (£ w ), the Hubert space of complexvalued square summable function on E m .z Main results.In this section we will introduce some notation, state our theorems and corollaries, sketch one proof and remark on the remaining proofs.Co(E m ) will denote the space of infinitely differentiable, complexvalued functions on E m with compact support.Let L l ™(E m ) denote 1 The preparation of this paper was sponsored in part by the National Science Foundation.2 In particular we assume a 2 = 2 where a 2 is the variance per unit of time of the Wiener process.See [6]. DEFINITION. A symmetric operator A with domain DÇ-L2(E m) is said to be semibounded from above if there exists a real number k< oo such that (A^, ^)^k{\p, \j/) s&||^|| 2 for all ^££> and where (</>, xl/)=f<f>^dx.
where x = (x1, * , xn) C Rn, bj(x), j = 1, * , n and V(x) are real-valued functions on Rn, aj = d/ (dx1), i = V 1 and CZ Z), a dense linear subset of L2(Rn). i) is called the domain of A (b; V; t) and is denoted by t (A). The domain ?) and/or (b; V) will be omitted from A(b; V; Z) when no confusion should arise. In practice, the spectral resolution of a certain self-adjoint extension, A, of A is important. One important technique used in studying pertinent properties of the spectral resolution of A(b; V;Z) is to represent e Q-L2(Rn), by the Wiener integral of a certain functional F(b; V; O) and then to translate the (at least formally) transparent properties of this integral into less transparent but important properties of A. For example, see [14] and [ 18]. This functional integral representation has been shown to be rigorously valid for the case where bj(x) = 0 (j = 1, * *,*n), and where V(x) is Borel measurable and bounded from below. Unfortunately, A is only given implicitly. See [ 8], [ 9], and [ 10] . It is the purpose of this paper to extend the validity of the functional integral representation of e-At% to the case where b(x) = (b1(x) , .., bn(x)) is a sufficiently smooth vector field which doesn't grow too rapidly at infinity, and where V(x) can have certain negative singularities. Moreover, A will be given explicitly(). The Schrodinger operator containing (normal) Zeeman effect and Coulomb interaction terms will be included. ??2, 3, and 4 will give a brief account of functional integration, semigroup theory and quadratic forms on a Hilbert space, respectively. They will be needed for the main body of the paper consisting of ??5 and 6. ?5 will give the statement of the theorems along with certain remarks. ?6 will contain the proofs of the theorems.
In this paper, four distinct ideas are combined, which under a wide range of circumstances can give very rapidly converging series expansions for functional integrals. (1) Expansion of the functional being integrated in functional Taylor series. In the familiar case arising in quantum statistical mechanics, that of the Wiener integral of exp[−∫V(x(t))dt],V(x) being the perturbing potential, this is equivalent to expanding the characteristic functional of the probability functional of V(x(t)) in central moments of V(x(t)). The lowest-order term of the series is the approximation obtained by Feynman and Hibbs through a variational method. (2) Transfer of the harmonic term of the potential, when the functional integral is the quantum-statistical density matrix (Green's function of the Bloch equation), to the weighting function. This transforms the functional integral from a Wiener to an Uhlenbeck-Ornstein integral. The formal expressions for the terms of the expansion are somewhat more complicated, but they can be worked out, and the result is a great improvement in the speed of convergence of the series with decreasing temperature and/or decreasing relative magnitude of the anharmonic part of the potential. (3) ``Reservation of variables'' in the integration. This amounts to breaking the averaging process down into an average over subsets of the distributed random function (conditional average), followed by an averaging of these averages. Any step of this kind (it may be repeated within the subsets, etc.) gives an improvement of accuracy. (4) When the quantity being evaluated through functional integration is the partition function, the device introduced by Feynman and Hibbs, of interchanging the functional integration with the integration of the Green's function over the equated initial and final configuration-space points, may be combined with the above techniques. This eliminates one integration in the terms of the expansion and seems to improve accuracy at the same time. The general series obtained is correlated with more conventional operator techniques of quantum-mechanical perturbation theory, in order to answer the perennial question, does the path-integral method bring with it anything that could not be derived by other methods? It is in some sense a Feynman-Dyson expansion of the Green's function, but one that is further modified mathematically in a way characteristic only of the path-integral point of view, and which, moreover, improves its accuracy. It thus appears unlikely that the result is merely one of standard type disguised as a functional integral result. Sample numerical calculations are given to assay the accuracy of the methods, which are shown to compare very favorably with the traditional approximation of finite subdivision of the time interval.
(and its generalisations that include magnetic fields) can be roughly divided into two classes. In the aproaches of the first class that we shall not discuss here in detail the Feynman integral is not supposed to be a genuine integral, but is specified as some generalised functional on an appropriate space of functions, which can be defined, for example, as the limit of certain discrete approximations (see e.g. [16], [44] and more recent papers [24], [25], [34]), by means of analytical continuation (see e.g. [26], [23] and references therein), by extensions of Parceval’s identity and by related axiomatic definitions (see [2], [5], [30], [11], [42] and references therein) or by means of the white noise analysis (see [22]), see also [46] for the discussion of path integral applied to the Dirac equation. These approaches still cover only a very restrictive class of potentials, for example, singular potentials were considered only by white noise analysis approach but only in one-dimensional case (see e.g. [6] and references therein). In the approaches of the second class, one tries to define the infinite-dimensional Feynmann integral as a genuine integral over a bona fide σ-additive measure on an appropriate space of trajectories. The first attempt made in [19] to construct such a measure was erronious and led to understanding that there is no direct generalisation of Wiener measure that can give an analog of FeynmanKac formula for the case of Schrodinger operators. A correct construction of the Feynman integral in terms of the Wiener measure was proposed in [15] and was based on the idea of the rotation of the classical trajectories in complex
We show that such operator admits an eigenvalue β and an associated eigenstate ρβ, that is, one satisfying ℒH(ρβ) = βρβ. Our work is inspired by the results presented in [16] and [21]. We would like to thank these authors for supplying us with the corresponding references. It is well-known that completely positive mappings (operators) acting on density matrices are of great importance in Quantum Computing. These operators can be written in the Stinespring-Kraus form (see Section 12). Also, a nice exposition on the interplay of Ergodic Theory and Quantum Information is presented in [3]. The initial part of our work aims to present some of the definitions and concepts that are not very well-known (at least for the general audience of people in Dynamical Systems) in a systematic way. We present the main basic definitions which are necessary to understand the theory. However, we do not have the intention of exhausting what is already known. We believe that the theoretical results presented here can be useful as a general tool to understand problems in Quantum Computing. Several examples are presented in the text. We believe that this will help the reader to understand some of the main issues of the theory. In order to simplify the notation, we will present most of our results for the case of matrices of order 2. In Sections 2 and 3, we present some basic definitions and examples, and we show some preliminary relations of our setting to the classical Thermodynamic Formalism. In Section 4, we present an eigenvalue problem for non-normalized Ruelle operators which will be required later. Some properties and concepts about density matrices and Ruelle operators are presented in Sections 6 and 7. Sections 8 and 9 are dedicated to the introduction of some different kinds of entropy that were already known but do not have a stationary character. In Section 10, we introduce the concept of stationary entropy for measures defined on the set of density matrices. In Section 11, we compare this definition with the usual one for Markov Chains. Section 12 is dedicated to motivate the interest on pressure and the capacity-cost function. Sections 13, 14, 15, and 16 are dedicated to the presentation of our main results on pressure, important inequalities, examples, and its relation with the classical theory of Thermodynamic Formalism. In [1], we present a general exposition (describing the setting we consider here) where we omit proofs, but provide many examples. We believe that paper will help to complement the present paper for the reader which is a newcomer in the area. We also present there some basic results concerning the discrete Wigner measure. In [2], we propose a different concept of entropy which is also a generalization of the classical one. We also describe some properties of the Quantum Stochastic Process associated to the Quantum Iterated Function System. This work is part of the thesis dissertation of C. F. Lardizabal in Prog. Pos-Grad. Mat. UFRGS (Brazil). A QIFS is homogeneous if pi and Fipi are affine mappings, ⁠. We recall the definition of the integral above in Section 5. If a QIFS (6) is homogeneous and hyperbolic, then the associated Markov operator admits a unique invariant measure μ. Such invariant measure determines a unique Λ-invariant state ρ ∈ℳN, given by (13). See [16], [21] for the proof. Now, we make a few considerations about the Ruelle operator ℒ defined before. In particular, we show that Perron’s classic eigenvalue problem is a particular case of the problem for the operator ℒ acting on matrices. Let Now, we consider the following problem. Let A different analysis in the quantum setting which is related to Perron’s theorem is presented in [6]. We point out that this operator is completely general. In an analogy with the classical case, we can say it corresponds to the general Perron Theorem for positive matrices (having positive eigenvalues which can be bigger or smaller than one); on the other hand, the setting described in [16], [21] ”basically” considers the analogous case of the Perron Theorem for stochastic matrices. We need a result in this form in order to better understand the Pressure problem which will be described later. There exists ρ ∈ℳN and β > 0 such that ℒW, V(ρ) = βρ. The value β is obtained explicitly: β = tr(ℒW, V(ρ)). We recall here a few basic definitions. For more details, see [16] and [21]. Let X be a metric space. Let (V, +, ⋅) be a real vector space, and τ a topology on V . We say that (V, +, ⋅; τ) is a topological vector space if it is Hausdorff and if the operations + and ⋅ are continuous. For instance, in the context of density matrices, we will consider V as the space of hermitian operators ℋN and X will be the space of density matrices ℳN. It is known that if we have a compact metric space X, V is a locally convex space and f : X → V is a continuous function such that is compact then the integral of f in X exists and belongs to ⁠. We will also use the following well-known result, the barycentric formula: In the context of QIFS, we can take ⁠. Let Z ⊂ V∗be a nonempty vector subspace of V∗. The smallest topology in V such that every functional defined in Z is continuous on that topology, denoted by σ(V, Z), turns V into a locally convex space. In particular, σ(V, V∗) is the weak topology in V . If is a normed space, then σ(V∗, V ) is called a weak∗ topology in V∗(we identify V with a subspace of V∗∗). We also have that ⁠, where τ is the weak∗ topology (and which is equal to the Euclidean, see [21]) is a metrizable compact structure. In this case, we have that ⁠. An operator is submarkovian if Q(αx) = αQ(x) for all x, y ∈ V+, α > 0. Every submarkovian operator can be extended in a unique way to a positive linear contraction on V , see [21]. Let a Markov operator and let ⁠, be submarkovian operators such that ⁠. We say that (P, {Pi}i = 1k) is a Markov pair. From [21], we know that there is a 1–1 correspondence between homogeneous IFS and Markov pairs. Let be an IFS, Ψ a linear functional on X. Then, ⁠, where is given by (43). Let be an IFS and let ρ0 ∈ X. Then, Λ(ρ0) = ρ0 if and only if ⁠, for all Ψ linear functional. Let be an IFS. Let ρ0 ∈ X such that Fi(ρ0) = ρ0, ⁠. Then, ⁠. Let ρ0 ∈ X such that ⁠, then Λ(ρ0) = ρ0. Let be a homogeneous IFS, ⁠. Let ρν be the barycenter of a probability measure ν. Then, Λ(ρν) is the barycenter of ⁠, where is the associated Markov operator. Let μ be an invariant probability measure for ⁠. Then, the barycenter of μ, denoted by ρμ, is a fixed point of Λ. In order to prove uniqueness in item (2) above, it would be necessary to assume hyperbolicity [20]. It is known that without this hypothesis even in the classical case (for transformations for instance), it can happen the phenomena of phase transition (two or more probabilities which are solutions) [23] [9]. The present setting contains the classical case and therefore in general there is no uniqueness. The following lemma, a simple variation from results seen in [21], specifies a condition we need in order to obtain a fixed point for Λ from a certain measure which is invariant for the Markov operator ⁠. Let be an IFS which admits an attractive invariant measure μ for ⁠. Then limn→∞Λn(ρ0) = ρμ, for every ρ0 ∈ℳN, where ρμ is the barycenter of μ. In lemma 4, we have a general QIFS and an attractive invariant μ, then μ is the unique invariant measure, an easy consequence of attractivity [21]. In general, we will be interested in QIFS which has an attractive invariant measure. This will follow if we assume hyperbolicity. Let ℱ be an IFS and let g : B → ℝ. Then, for n ∈ ℕ, If g is concave (resp. convex, affine) then, (resp. ⁠, ⁠). If is a fixed point for Λ then, the sequence is decreasing (resp. increasing, constant) ifg is concave (resp. convex, affine). Also suppose that ℱ is homogeneous. Then, If g is concave (resp. convex, affine), then, is concave (resp. convex, affine) . Let ⁠. Then the sequences and are nonnegative, decreasing, and have the same limit. The following result gives us an integral formula for entropy and also a relation between the entropies defined before. We write where is the convex hull of the set of accumulation points of and is the set S(μ) associated to the Markov operator induced by the IFS ℱ. For the definition of compact structure and (C, τ)-continuity, see [21]. The analogous result for hyperbolic IFS is the following. hV(W) ≥ 0, for every family Wi of linear operators satisfying ⁠. To conclude that hV(W) ≥ 0, we have to show that tr(WjViρWVi∗Wj∗) ≤tr(ViρWVi∗). From ⁠, we get Remark For any fixed dynamics V , if we have that Wm∗Wm = I for some m then the remaining pi must be zero, because of the condition ⁠. In this case, we have hV(W) = 0. We also have that hV(W) ≤ log k and for any given dynamics V , hV(W) attains the maximum if we choose ⁠, for each i, where I denotes the identity operator.□ Note that by the calculations made in Section 9, we have ⁠, where ⁠. Let Vi, Wi be linear operators, ⁠, ⁠. Suppose the Vi are fixed and that they determine a dynamics given by Fi : ℳN →ℳN, ⁠. Define Under the lemma hypothesis, we have limn→∞ΛPn(ρ) = Λπ(ρ), where π = limn→∞Pn is the stochastic matrix which has all columns equal to the stationary vector for P. In [19], is it shown that the additivity conjecture is equivalent to the minimum output entropy conjecture and in [11], a counterexample is obtained for this last conjecture. The number ξ(ℰ) is the Holevo information of the ensemble given by ⁠. We see that (85) holds by applying the Holevo bound for the von Neumann entropy (see [17]) together with (80) and (82). We are also interested in a different class of problems which concern maximization (and not minimization) of entropy plus a given potential (a cost) [10], [12], [13]. Let Vi, Wi, Hi be linear operators, ⁠, with and let From this point, we can perform two calculations. First, considering (92) we will take the trace of such equation in order to obtain a scalar equation. In spite of the fact that taking the trace makes us lose part of the information given by the eigenvector equation, we are still able to obtain a version of what we will call the basic inequality, which can be seen as a QIFS version of the variational principle of pressure. However, there is an algebraic drawback to this approach, namely, that we will not be able to recover the classic variational problem as a particular case of such inequality (such disadvantage is a consequence of taking the trace, clearly). The second calculation begins at equation (93), the coordinate equations associated to the matrix equation for the eigenvectors. In this case, we also obtain a basic inequality, but then we will have the classic variational problem of pressure as a particular case. An important question which is of our interest, regarding both calculations mentioned above, is to ask whether it is possible for a given system to attain its maximum pressure. It is not clear that given any dynamics, we can obtain a measure reaching such a maximum. With respect to our context, we will remark a natural condition on the dynamics which allows us to determine expressions for the measure which maximizes the pressure. Now, we perform the calculations mentioned above. Let A = (aij) be a matrix with positive entries and consider the problem of finding its eigenvalues and eigenvectors. Then from A natural question is to ask whether the maximum among normalized Wi, for the pressure problem associated to a given potential is realized as the logarithm of the main eigenvalue of a certain Ruelle operator associated to the potential Hi, This problem will be considered in this section and also in the next one. We call inequality (149) the classic inequality associated to the matrix A with positive entries, and stochastic matrix Q. As before, ρβ is an eigenstate of ℒH(ρ) and ρW is the barycenter of the unique attractive, invariant measure for the Markov operator associated to the QIFS ℱW. Given the classic inequality (149), we want to compare it to the basic inequality (150). More precisely, we would like to obtain operators Vi that satisfy the following: given a matrix A with positive entries and a stochastic matrix Q, there are Hi and Wi such that inequality (150) becomes inequality (149). We have the following proposition. We use the following lemma. Considering the QIFS setting, we defined a concept of entropy and a Ruelle operator in such a way that we are able to get some analogous results to the classical Thermodynamic Formalism. Such Ruelle operator admits a positive eigenvalue, which gives us an upper bound for the pressure (entropy plus a potential) associated to the QIFS. Our configuration space is the set of density matrices. We did not consider the usual space of symbols or a shift operator, as it is assumed in the Ruelle-Perron-Frobenius theory. We have replaced the dynamics given by the shift with the one given by the inverse branches of the iterated functions (which are defined by a set of operators). The references [16] and [21] are of fundamental importance in our investigation. A starting point for further investigation could be to study more properties of the QIFS entropy, such as convexity and subadditivity. Also, a natural question is to ask whether it is possible to consider a QIFS acting in an infinite tensor product of finite Hilbert spaces which would be the analogous of considering the full Bernoulli space. In a forthcoming paper we are going to consider relative entropies and quantum conditional expectations. A. O. Lopes: Partially supported by CNPq, PRONEX – Sistemas Dinâmicos, INCT, and beneficiary of CAPES financial support. C. F. Lardizabal: Supported by CAPES PhD scholarship. M. Terra Cunha: Partially supported by CNPq and FAPEMIG.
In the setting of Cameron and Storvick's recent theory we show that the solution of an integral equation formally equivalent to the Schroedinger equation is expressible as the analytic Feynman integral of a function on ^-dimensional Wiener space of the form F(X) = exp{/ o '0(ίs, X(s) + I) ds}ψ(X(t\+ ?).Here Xis an Revalued continuous function on [0, /] such that Z(0) = 0, ?G R\ and ψ and θ(s, ) are Fourier-Stieltjes transforms.REMARK 3.2.Corollary 3.2 and Lemma 3.2 will yield the measurability properties that we will need as we continue.For example, let θ be in % and for λ > 0 and fin W let G: [0, ί 0 ] X C[0, t 0 ] -> C be defined by The Pacific
In Nelson [10], it is shown that for each solution of a Schr\"odinger equation ϕ(x,t),\phi(x, t),ϕ(x,t), x∈Rd,x\in R^{d},x∈Rd, t≧0t\geqq 0t≧0 , with ∥ϕ∥=1\Vert\phi\Vert=1∥ϕ∥=1 , there exists a diffusion process which has ... probability density at time ttt given byMore precisely the following is shown in [10]: suppose that we are given a real valued function V(x),V(x),V(x), x∈Rdx\in R^{d}x∈Rd , and a complex valued function ϕ0(x),\phi_{0}(x),ϕ0​(x), x∈Rdx\in R^{d}x∈Rd , with ∥ϕ0∥=1\Vert\phi_{0}\Vert=1∥ϕ0​∥=1 , and consider the Schrodinger equation Then, under the assumption that ϕ\phiϕ and b~\tilde{b}b~ are sufficiently regular, there exists a diffusion process {Xt},\{X_{t}\},{Xt​}, t≧0t\geqq 0t≧0 , with initial density ∣ϕ0(x)∣2|\phi_{0}(x)|^{2}∣ϕ0​(x)∣2 and generator (1/2)Δ+b~(x,t)⋅∇(1/2)\Delta+\tilde{b}(x, t)\cdot\nabla(1/2)Δ+b~(x,t)⋅∇ such that the probability density of this diffusion at time t≧0t\geqq 0t≧0 is ∣ϕ(x,t)∣2|\phi(x, t)|^{2}∣ϕ(x,t)∣2 .In addition, in [10] it is also shown that the diffusion process {Xt},\{X_{t}\},{Xt​}, t≧0t\geqq 0t≧0 , solves the second order stochastic differential equation (1/2)(D∗D+DD∗)Xt=−∇V(Xt)(1/2)(D_{*}D+DD_{*})X_{t}=-\nabla V(X_{t})(1/2)(D∗​D+DD∗​)Xt​=−∇V(Xt​) , where DDD and D∗D_{*}D∗​ are Nelson's forward and backward stochastic derivatives.Generally sPeaking, the functions ϕ\phiϕ and b~\tilde{b}b~ may be singular, and the existence of the corresponding diffusion process must be studied carefully.Carlen [1,2][1, 2][1,2] , Meyer and Zheng [8] and Nagasawa [9] considered rigorously the construction of a diffusion process with a given initial density and a generator.lnlnln order to construct a Markovian propagator for the diffusion process, Carlen [1,2][1, 2][1,2] used partial differential equation methods.Meyer and Zheng [8] restricted themselves to the case when ϕ(x,t)=ϕ0(x),\phi(x, t)=\phi_{0}(x),ϕ(x,t)=ϕ0​(x), ∀t≧0\forall_{t\geqq 0}∀t≧0​ and considered the construction of the diffusion process through the relationships between Markov processes and Dirichlet forms.We may consult Nagasawa [9] about recent developments of this area.In Carlen [1], it is assumed that V(x),V(x),V(x), x∈Rdx\in R^{d}x∈Rd , is a Rellich class potential and ∥∇ϕ0∥2<∞\Vert\nabla\phi_{0}\Vert^{2}<\infty∥∇ϕ0​∥2<∞ , and shown that there exists a diffusion process {Xt},\{X_{t}\},{Xt​}, t≧0t\geqq 0t≧0 , which has the probability density ∣ϕ(x,t)∣2|\phi(x, t)|^{2}∣ϕ(x,t)∣2 at time t≧0t\geqq 0t≧0 and admits the representation