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Design of Quantum Gates Using Quantum Scattering Theory

Harish Parthasarathy, Monika Aggarwal

Published Apr 16, 2024• 0 citations
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Abstract

Given two Hamiltonians \(H_0,H_1=H_0+V\) corresponding respectively to a free particle Hamiltonian and the free particle Hamiltonian plus its interaction energy with a scattering centre, we can compute the S-matrix, i.e., the matrix that determines the quantum mechanical amplitude of the process involving a particle coming from a free particle state at an infinite distance from the scattering centre at time \(t=-\infty\), entering into an initial scattered state, interacting with the scattering centre, entering into a final scattered state, and then escaping away to infinity at time \(t\rightarrow\infty\) to a final free particle state. Such amplitudes were first studied by Lippmann and Schwinger (Steven Weinberg, The Quantum Theory of Fields, Vol. 1, W.O. Amrein, Hilbert Space Methods in Quantum Mechanics) and then analyzed in a mathematically precise way by [T. Kato], [W. Amrein], and [K.B. Sinha]. In this paper, we first derive the Lippmann-Schwinger equation for the input and output scattered states in terms of the input and output free particle states using intuitive arguments originally due to Lippmann and Schwinger, and then, using rigorous operator theoretic arguments revolving around the spectral theorem for unbounded self-adjoint operators in a Hilbert space, we obtain an elegant formula for the scattering matrix elements in terms of the interaction potential and the free particle Hamiltonian between two free particle states corresponding to the same measure. We then discuss a computationally more efficient method based on the Dyson series expansion (Steven Weinberg, The Quantum Theory of Fields, Vol. 1), which works even in the case when the interaction Hamiltonian is time varying, in contrast to the Lippmann-Schwinger method, for calculating the S-matrix. We assume that the scattering potential, which can be time varying, can be controlled by incorporating control parameters and explain how the resulting unitary S-matrix can be made to approximate a given unitary gate in infinite-dimensional Hilbert space by optimizing the Hilbert-Schmidt/Frobenius norm distance between the given gate and the S-matrix gate, in which the latter is approximated by a truncated Dyson series. Of course, the S-matrix given by the Dyson series is a Taylor series functional expansion in the interaction potential and hence is a highly nonlinear function of the control parameters, and hence we propose numerical methods for such optimization. We then observe that if the control parameters are taken as random variables with joint moments, then the TPCP map involving statistical averaging of the adjoint action of the S-matrix acting on an initial mixed state w.r.t. the probability distribution of the control parameters will result in a final mixed state that is linear in the statistical moments of the control parameters, and hence optimization w.r.t. these moments can be easily carried out. Our method of TPCP map design is to optimize the sum of Frobenius distance squares between a sequence of desired output mixed states and the S-matrix based formula for the TPCP map acting on the corresponding input mixed states w.r.t. the statistical moments of the control parameters. We then generalize this method to include the case of TPCP maps obtained from the Hudson-Parthasarathy quantum noisy Schrödinger equation. In summary, we simulate the S-matrix gate for independent realizations of the control parameters having a probability distribution defined by their joint moments obtained by the above optimization procedure and apply the adjoint action of these independent S-matrices on a given input state, and take their ensemble average to obtain a good approximation to the action of the desired TPCP map on any given input state. This suggests that TPCP maps of arbitrarily large size can be realized using scattering experiments in the laboratory.

DOI
10.32388/zxl9ef

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Given two Hamiltonians (H_0,H_1=H_0+V) corresponding respectively to a free particle Hamiltonian and the free particle Hamiltonian plus its interaction energy with a scattering centre, we can compute the S-matrix, i.e., the matrix that determines the quantum mechanical amplitude of the process involving a particle coming from a free particle state at an infinite distance from the scattering centre at time (t=-\infty), entering into an initial scattered state, interacting with the scattering centre, entering into a final scattered state, and then escaping away to infinity at time (t\rightarrow\infty) to a final free particle state. Such amplitudes were first studied by Lippmann and Schwinger (Steven Weinberg, The Quantum Theory of Fields, Vol. 1, W.O. Amrein, Hilbert Space Methods in Quantum Mechanics) and then analyzed in a mathematically precise way by [T. Kato], [W. Amrein], and [K.B. Sinha]. In this paper, we first derive the Lippmann-Schwinger equation for the input and output scattered states in terms of the input and output free particle states using intuitive arguments originally due to Lippmann and Schwinger, and then, using rigorous operator theoretic arguments revolving around the spectral theorem for unbounded self-adjoint operators in a Hilbert space, we obtain an elegant formula for the scattering matrix elements in terms of the interaction potential and the free particle Hamiltonian between two free particle states corresponding to the same measure. We then discuss a computationally more efficient method based on the Dyson series expansion (Steven Weinberg, The Quantum Theory of Fields, Vol. 1), which works even in the case when the interaction Hamiltonian is time varying, in contrast to the Lippmann-Schwinger method, for calculating the S-matrix. We assume that the scattering potential, which can be time varying, can be controlled by incorporating control parameters and explain how the resulting unitary S-matrix can be made to approximate a given unitary gate in infinite-dimensional Hilbert space by optimizing the Hilbert-Schmidt/Frobenius norm distance between the given gate and the S-matrix gate, in which the latter is approximated by a truncated Dyson series. Of course, the S-matrix given by the Dyson series is a Taylor series functional expansion in the interaction potential and hence is a highly nonlinear function of the control parameters, and hence we propose numerical methods for such optimization. We then observe that if the control parameters are taken as random variables with joint moments, then the TPCP map involving statistical averaging of the adjoint action of the S-matrix acting on an initial mixed state w.r.t. the probability distribution of the control parameters will result in a final mixed state that is linear in the statistical moments of the control parameters, and hence optimization w.r.t. these moments can be easily carried out. Our method of TPCP map design is to optimize the sum of Frobenius distance squares between a sequence of desired output mixed states and the S-matrix based formula for the TPCP map acting on the corresponding input mixed states w.r.t. the statistical moments of the control parameters. We then generalize this method to include the case of TPCP maps obtained from the Hudson-Parthasarathy quantum noisy Schrödinger equation. In summary, we simulate the S-matrix gate for independent realizations of the control parameters having a probability distribution defined by their joint moments obtained by the above optimization procedure and apply the adjoint action of these independent S-matrices on a given input state, and take their ensemble average to obtain a good approximation to the action of the desired TPCP map on any given input state. This suggests that TPCP maps of arbitrarily large size can be realized using scattering experiments in the laboratory.
After a fairly rigorous mathematical formulation of quantum mechanics based on transformation theory by Dirac in which he cast Heisenberg’s matrix mechanics and Schrodinger’s wave mechanics on a common operator theoretic setting and successfully explained their equivalence, it was John Von Neumann in monumental treatise “Mathematical foundations of quantum mechanics” who proved the spectral theorem for all self adjoint operators in an infinite dimensional Hilbert space and thereby cast the masterly work of Dirac “The principles of quantum mechanics“ in a way that even pure mathematicians were able to understand. Dirac in his book had also indicated the work of Jordan and Heisenberg on quantum scattering theory but without the modern method of wave operators. Lippmann and Schwinger gave a more rigorous discussion of scattering theory via the introduction of free particle states and scattered states. Actually, free particle states are not square integrable and hence cannot strictly be termed as states. However by the use of wave operators the equations of Lippmann and Schwinger could be made rigorous using the setting of the continuous spectrum of a self-adjoint opearator introduced by Von Neumann, Crucial to this development is the notion of the domain of definition of an unbounded operator. This leads to the fact that the wave operators that appear in scattering theory are not defined on all vectors but usually on those vectors that belong to the continuous spectrum of the free particle Hamiltonian. Today scattering theory is a well developed subject and the interested reader can get a good grasp of this subject from the books 1 Tosio Kato, “Perturbation theory for linear operators”, Springer. 2 Werner O. Amrein, “Hilbert space methods in quantum mechanics”, CRC press, 2012.
A quantum unitary gate is realized in this paper by perturbing a free charged particle in a one-dimensional box with a time- and position-varying electric field. The perturbed Hamiltonian is composed of a free particle Hamiltonian plus a perturbing electric potential such that the Schro¨\ddot{o}o¨dinger evolution in time TTT, the unitary evolution operator of the unperturbed system after truncation to a finite number of energy levels, approximates a given unitary gate such as the quantum Fourier transform gate. The idea is to truncate the half-wave Fourier sine series to MMM terms in the spatial variable x\mathbf xx before extending the potential as a Dyson series in the interaction picture to compute the evolution operator matrix elements up to the linear and quadratic integral functionals of $ \mathbf V_n(t)'$s. As a result, we used the Dyson series with the Frobenius norm to reduce the difference between the derived gate energy and the given gate energy, and we determined the temporal performance criterion by plotting the noise-to-signal energy ratio (NSER). A mathematical explanation for a quantum gate's magnetic control has also been provided. In addition, we provide a mathematical explanation for a quantum gate that uses magnetic control.
This chapter shows how scattering problems are formulated in the framework of path integrals. In quantum mechanics, the state of an isolated system evolves under the action of a unitary operator, as a consequence of the conservation of probabilities and, thus, of the norm of vectors in Hilbert space. Quantum evolution (that is, in real time) is introduced, after which a path integral representation of the scattering matrix is constructed. From this S matrix, the standard perturbative expansion in powers of the potential is recovered. Even the evolution of a free quantum particle is slightly non-trivial; in general, one observes a spreading of wave packets. Scattering is then characterized by the asymptotic deviations at infinite time from this free evolution and this leads to the definition of a scattering or S-matrix. An S-matrix is defined in the example of bosons and fermions. Various other semi-classical approximation schemes are then discussed.
We give a pedagogical introduction to time-independent scattering theory in one dimension focusing on the basic properties and recent applications of transfer matrices. In particular, we begin surveying some basic notions of potential scattering such as transfer matrix and its analyticity, multi-delta-function and locally periodic potentials, Jost solutions, spectral singularities and their time-reversal, and unidirectional reflectionlessness and invisibility. We then offer a simple derivation of the Lippmann-Schwinger equation and Born series, and discuss the Born approximation. Next, we outline a recently developed dynamical formulation of time-independent scattering theory in one dimension. This formulation relates the transfer matrix and therefore the solution of the scattering problem for a given potential to the solution of the time-dependent Schr\"odinger equation for an effective non-unitary two-level quantum system. We provide a self-contained treatment of this formulation and some of its most important applications. Specifically, we use it to devise a powerful alternative to the Born series and Born approximation, derive dynamical equations for the reflection and transmission amplitudes, discuss their application in constructing exact tunable unidirectionally invisible potentials, and use them to provide an exact solution for single-mode inverse scattering problems. The latter, which has important applications in designing optical devices with a variety of functionalities, amounts to providing an explicit construction for a finite-range complex potential whose reflection and transmission amplitudes take arbitrary prescribed values at any given wavenumber.
We give a pedagogical introduction to time-independent scattering theory in one dimension focusing on the basic properties and recent applications of transfer matrices. In particular, we begin surveying some basic notions of potential scattering such as transfer matrix and its analyticity, multidelta-function and locally periodic potentials, Jost solutions, spectral singularities and their time-reversal, and unidirectional reflectionlessness and invisibility. We then offer a simple derivation of the Lippmann-Schwinger equation and the Born series, and discuss the Born approximation. Next, we outline a recently developed dynamical formulation of time-independent scattering theory in one dimension. This formulation relates the transfer matrix and therefore the solution of the scattering problem for a given potential to the solution of the time-dependent Schrodinger equation for an effective nonunitary two-level quantum system. We provide a self-contained treatment of this formulation and some of its most important applications. Specifically, we use it to devise a powerful alternative to the Born series and Born approximation, derive dynamical equations for the reflection and transmission amplitudes, discuss their application in constructing exact tunable unidirectionally invisible potentials, and use them to provide an exact solution for single-mode inverse scattering problems. The latter, which has important applications in designing optical devices with a variety of functionalities, amounts to providing an explicit construction for a finite-range complex potential whose reflection and transmission amplitudes take arbitrary prescribed values at any given wavenumber.
The purpose of these lectures is to give an accessible and self contained introduction to quantum scattering theory in one dimension. Part A defines the theoretical playground, and develops basic concepts of scattering theory in the time domain (Asymptotic Condition, in- and out- states, scattering operator S^\hat{S}S^). The aim of Part B is then to build up, in a step-by-step fashion, the time independent scattering theory in energy domain. This amounts to introduce the Lippmann-Schwinger equation for the stationary scattering states (denoted as ∣ψE(±1)±⟩| ψ_{E(\pm 1)}^\pm \rangle∣ψE(±1)±​⟩), to discuss fundamental properties of ∣ψE(±1)±⟩| ψ_{E(\pm 1)}^\pm \rangle∣ψE(±1)±​⟩, and subsequently to construct S^\hat{S}S^ and T^\hat{T}T^ operators in terms of ∣ψE(±1)±⟩| ψ_{E(\pm 1)}^\pm \rangle∣ψE(±1)±​⟩. Physical contents of the S^\hat{S}S^ and T^\hat{T}T^ operators is then illuminated by deriving explicit formulas for the probability of transmission/reflection of our quantum particle through/from the interaction region of the potential. An illustrative numerical example is given, which also highlights an existence of scattering resonances. Finally, Part C elaborates the nonhermitian scattering theory (Siegert pseudostate formalism), which offers an extremely powerful tool suitable for clear cut understanding of the resonance phenomena.