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Physical Review A

Quantum diagnosis of molecules: A method for measuring directly the Wigner function of a molecular vibrational state

L. Davidovich, Miguel Orszag, Nicim Zagury

Published Apr 1, 1998• 11 citations
Publisher

Abstract

We propose a method for measuring directly the Wigner function of a molecular vibrational state. Our method does not involve the calculation of integral transforms, as in tomographic proposals, and is applicable to a large class of molecular states.
DOI
10.1103/physreva.57.2544

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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.
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.
With the ability to directly obtain the Wigner function and density matrix of photon states, quantum tomography (QT) has had a significant impact on quantum optics, quantum computing and quantum information. By an appropriate sequence of measurements on the evolution of each degreeof freedom (DOF), the full quantum state of the observed photonic system can be determined. The first proposal to extend the application of QT to reconstruction of complete quantum states of matter wavepackets had generated enormous interest in ultrafast diffraction imaging and pump-probe spectroscopy of molecules. This interest was elevated with the advent of ultrafast electron and X-ray diffraction techniques using electron accelerators and X-ray free electron lasers to add temporal resolution to the observed nuclear and electron distributions. However, the great interest in this area has been tempered by the illustration of an impossibility theorem, known as the dimension problem. Not being able to associate unitary evolution to every DOF of molecular motion, quantum tomography could not be used beyond 1D and categorically excludes most vibrational and all rotational motion of molecules. Here we present a theoretical advance to overcome the notorious dimension problem. Solving this challenging problem is important to push imaging molecular dynamics to the quantum limit. The new theory has solved this problem, which makes quantum tomography a truly useful methodology in ultrafast physics and enables the making of quantum version of a molecular movie. With the new theory, quantum tomography can be finally advanced to a sufficient level to become a general method for reconstructing quantum states of matter, without being limited in one dimension. Our new concept is demonstrated using a simulated dataset of ultrafast diffraction experiment of laser-aligned nitrogen molecules.
We represent both the states and the evolution of a quantum computer in phase space using the discrete Wigner function. We study properties of the phase space representation of quantum algorithms: apart from analyzing important examples, such as the Fourier transform and Grover's search, we examine the conditions for the existence of a direct correspondence between quantum and classical evolutions in phase space. Finally, we describe how to measure directly the Wigner function in a given phase-space point by means of a tomographic method that, itself, can be interpreted as a simple quantum algorithm.