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arXiv:quant-ph/9703026 · Physical Review A

Least-squares inversion for density-matrix reconstruction

Tomáš Opatrný, D.‐G. Welsch, W. Vogel

Published Sep 1, 1997• 80 citations
arXivHTMLPDF

Abstract

We propose a method for reconstruction of the density matrix from measurable time-dependent (probability) distributions of physical quantities. The applicability of the method based on least-squares inversion is---compared with other methods---very universal. It can be used to reconstruct quantum states of various systems, such as harmonic and anharmonic oscillators including molecular vibrations in vibronic transitions and damped motion. It also enables one to take into account various specific features of experiments, such as limited sets of data and data smearing owing to limited resolution. To illustrate the method, we consider a Morse oscillator and give a comparison with other state-reconstruction methods suggested recently.

DOI
10.1103/physreva.56.1788

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We propose a method for reconstruction of the density matrix from measurable time-dependent (probability) distributions of physical quantities. The applicability of the method based on least-squares inversion is---compared with other methods---very universal. It can be used to reconstruct quantum states of various systems, such as harmonic and anharmonic oscillators including molecular vibrations in vibronic transitions and damped motion. It also enables one to take into account various specific features of experiments, such as limited sets of data and data smearing owing to limited resolution. To illustrate the method, we consider a Morse oscillator and give a comparison with other state-reconstruction methods suggested recently.
We describe a general reconstruction method of the density of a physical system from a finite number of entropic moments. These statistical quantities, which are integrals of the density to a power α∈R, may also represent some fundamental and/or experimentally accessible quantities of quantum-mechanical systems for specific values of α. We take advantage of the strategy recently used by us to solve the Hausdorff and Stieltjes entropic moment problems, where the main role is played by the inverse function of the density. In our method we first calculate such inverse function by use of an algorithm of minimization of the Fisher information measure of the density, and then we invert it. Two particular cases are discussed to illustrate the applicability of the method.
The quantum state of a one-dimensional molecular vibration can be reconstructed via molecular emission tomography [T. J. Dunn, I. A. Walmsley, and S. Mukamel, Phys. Rev. Lett. 74, 884 (1995)] even in the case of anharmonic potentials. We assume a Morse-oscillator model for the vibration and calculate analytically the irregular wave functions. These mathematical objects serve as ingredients of the reconstruction procedure [U. Leonhardt and M. G. Raymer, Phys. Rev. Lett. 76, 1989 (1996)]. Additionally, we show why the observation time until the revival of order is sufficient for an accurate state determination.
We show how group symmetries can be used to reconstruct quantum states. The method we propose is presented in the context of the two-mode SU(1,1) states of the radiation field. In our scheme for SU(1,1) states, the input field passes through a nondegenerate parametric amplifier and one measures the probability of finding the output state with a certain number (usually zero) of photons in each mode. The density matrix in the Fock basis is retrieved from the measured data by the least-squares method after singular value decomposition of the design matrix followed by Tikhonov regularization. Several illustrative examples involving the reconstruction of a pair coherent state, a Perelomov coherent state, and a coherent superposition of pair coherent states are considered.
A new method of solving classical and quantum problems of statistical data analysis based on the symbiosis of notions of quantum theory and mathematical statistics is considered. Particular attention is given to the specificity of quantum problems, determined by mutually complementary measurements (according to the Bohr complementarity principle), when, for example, a spatial-temporal picture is complemented by a momentum-energy one. The possibility of construction of multiparametric statistical models admitting a stable reconstruction of the parameters from observations (the inverse statistical problem) is studied. In this case, the only universal model of such a kind is the root model, based on the representation of the probability density as the square of the modulus of some function (called the psi function by analogy with quantum mechanics). The psi function is represented as an expansion in terms of an orthonormal basis, with the expansion coefficients being estimated by the maximum likelihood technique. The root approach makes it possible to represent the Fisher information matrix, covariance matrix, and statistical properties of the estimates of the reconstructed states in the simplest and a universal form. Being asymptotically efficient, the method allows one to reconstruct the states with an accuracy close to the theoretically attainable accuracy. It is shown that the requirement for the expansion to be of a root kind can be considered as a quantization condition, which makes it possible to choose, from among all the statistical models, which, on the average, are consistent with the laws of classical mechanics, those systems that are described by quantum mechanics.
We introduce a practical method for compacting the time evolution of the quantum state of a closed physical system. The density matrix is specified as a function of a few time-independent observables where their coefficients are time-dependent. The key mathematical step is the vectorization of the surprisal, the logarithm of the density matrix, at each time point of interest. The time span used depends on the required spectral resolution. The entire course of the system evolution is represented as a matrix where each column is the vectorized surprisal at the given time point. Using singular value decomposition, SVD, of this matrix we generate realistic approximations for the time-independent observables and their respective time dependent coefficients. This allows a simplification of the algebraic procedure for determining the dominant constraints (the time-independent observables) in the sense of the maximal entropy approach. A nonstationary coherent initial state of a Morse oscillator is used to introduce the approach. We derive analytical exact expression for the surprisal as a function of time and this offers a benchmark for comparison with the accurate but approximate SVD results. We discuss two examples of a Morse potential of different anharmonicities, the H2 and I2 molecules. We further demonstrate the approach for a two coupled electronic states problem, the well studied non radiative decay of pyrazine from its bright state. Five constraints are found to be enough to capture the ultrafast electronic population exchange and to recover the dynamics of the wave packet in both electronic states.
In the past few years experimenters have learned how to determine the complete quantum state of an ensemble of particles or fields which have been prepared according to some unknown procedure. Through these experiments they have answered a question posed by W. Pauli in the 1930s. The methods used involve measuring statistical distributions of a well chosen set of physical observables and using a tomographic inversion algorithm to reconstruct the Wigner function and its corresponding wave function or density matrix. Recontructions have been successfully carried out in atomic, molecular, and optical physics. The development of these procedures helps to firm up the interpretation of the Schrodinger wave function.