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Journal of Mathematical Physics

Weyl Transform in Nonrelativistic Quantum Dynamics

Boris Leaf

Published May 1, 1968• 46 citations
Publisher

Abstract

The Weyl transform is applied in quantum dynamics to derive and extend Moyal's statistical theory of phase-space distributions for noncommuting coordinate and momentum operators. The distinction is made between Weyl transforms in Schrödinger and Heisenberg pictures; the general case of time-dependent Hamiltonians is considered. The Wigner function for the probability distribution in a phase space of Cartesian coordinates Q and momenta K propagates according to a conditional probability P(t, Q, K | t0, Q0, K0), which is exhibited as a Feynman path integral in phase space. Properties of P(t, Q, K | t0, Q0, K0) are developed; it is expressed in terms of the quantum generalization of the classical Liouville operator. The Weyl transform of a Heisenberg operator propagates according to P(t, Q0, K0 | t0, Q, K) which is also given as a Feynman path integral. An equation for the time evolution of Weyl transforms of Heisenberg operators is obtained, according to which the transform of Heisenberg coordinate and momentum operators obey a quantum form of Hamilton's equations of motion. If the initial density operator of the system commutes with the coordinate operator, then the state of the system is a mixture of pure coordinate states; the spectrum of the density operator in this case is continuous. For a Heisenberg operator AH(t) with Weyl transform AH(t, Q, K), the function A(t,Q)=∫dKAH(t,Q,K) is the expectation at time t of the dynamical property for a quantum system initially in a pure state of coordinate Q; it is the quantum-mechanical generalization of the dynamical property of the system along the classical trajectory in configuration space at time t. The probability amplitude for the time dependence of A(t,Q) can be expressed as a Feynman path integral with a Heisenberg Lagrangian. The amplitude of the conditional probability P(t, Q | t0, Q0) considered by Feynman is expressed as a path integral with a Schrödinger Lagrangian. The velocity in the Heisenberg Lagrangian is the negative of that in the Schrödinger Lagrangian of Feynman, but it agrees with the velocity appearing in the Hamiltonian equations. It is the Heisenberg Lagrangian that is the Lagrangian of classical dynamics. For a particle whose potential energy is a function of position, a quantum form of Newton's second law is obtained. An extension of the formalism to non-Cartesian coordinate systems is given.

DOI
10.1063/1.1664640

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For an arbitrary outer dyadic operator it is shown that the Weyl representation leads to the \it{modified} Gabor transform (known to Signal Processing), while the Wigner representation specializes to the Bargmann transform and a representation in terms of analytic functions. Calculating Weyl-Wigner (WW) transforms of products of $n$ operators, from first principles, has proved to be a technically difficult problem. However, with the machinery developed in Chapter 2 the problem is reduced to a straightforward algebraic exercise. Finally, forming an $s$-parametrized generalization of Weyl's correspondence rule and focusing on the Weyl representation it is shown to lead to an intimate relationship with the relative state formalism \cite{Ban1998}. Weyl's correspondence rule is only applicable to operators and consequently state vectors $|\psi\rangle$ are not represented in the usual formulation of quantum phase space. 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•Mar 1, 2012•0 citations

Semiclassical Methods of Deformation Quantisation in Transport Theory

M. I.

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(1978a, 1978b), Carruthers & Zachariasen (1983), Balazs & Jennings (1984), Hillery et al. (1983), Karasev & Maslov (1991), and Osborn & Molzahn (1995), where one may find additional references.Wigner's function, as a fundamental object of deformation quantisation, has numerous applications in many-body physics, kinetic theory, collision theory, and quantum chemistry.Transport models, originally created to simulate chemical reactions, have been modified and are widely used to describe heavy-ion collisions.www.intechopen.comSome Applications of Quantum Mechanics 68 Deformation quantisation does not have many recognised successful applications in quantum theory.Recently, attempts have been made to use specific properties of the formalism to investigate semiclassical expansion (Osborn & Molzahn, 1995;McQuarrie et al., 1998) and to calculate the determinants of one-loop operators in field theory (Pletnev & Banin, 1999;Banin et al., 2001) and the high-order corrections to the Bohr-Sommerfeld quantisation rule (Gracia-Saz, 2004;Cargo et al., 2005).Potential applications of deformation quantisation in transport models are presented in this review.Transport models for heavy-ion physics are designed for phenomenological descriptions of the complex dynamics of nuclear collisions.Several types of advanced transport models are based on the Boltzmann-Uhlenbeck-Ueling equations (BUU) (Blaettel et al., 1993), (relativistic) quantum molecular dynamics (QMD/RQMD) (Sorge et al., 1989;Aichelin, 1991;Faessler, 1992), or antisymmetrised molecular dynamics (AQMD) (Feldmeier & Schnack, 1997).These approaches have the correct classical limit and they contain special plug-ins and quantum-mechanical attributes, such as Pauli blocking for binary collisions of fermions.Numerical solutions are implemented through the distribution of test particles (BUU) or centroids of wave packets (QMD, AQMD) for classical trajectories in the phase space.For AQMD, the wave packets are antisymmetrised in their parameters.The transport models provide a solid basis for a phenomenological description of a variety of complex nuclear collisions phenomena.However, quantum coherence effects and non-localities are beyond the scope of these models.The internal consistencies of the approximations in the models remain a subject of debate, promoting further developments (see, for example, papers by Kohler (1995) andFeldmeier &Schnack (1997) and references therein).The most striking feature of the transport models is the depiction of the trajectories in the phase space, which are test particles or centroids of wave packets.The evolution of the system of classical particles can be calculated using standard programs to solve first-order ordinary differential equations (ODEs).At the same time, the evolution of wave functions of many-body systems is a field-theoretic problem with an infinite number of degrees of freedom that cannot be solved either analytically or numerically.Any simulation of many-body quantum dynamics must be based on a concept of trajectories, which is the only attribute allowing access to an approximate description of complex quantum systems.The concept of phase-space trajectories arises naturally in the formalism of deformation quantisation through the Wigner transformation of the operators of the canonical coordinates and momenta in the Heisenberg representation.These trajectories satisfy the quantum version of Hamilton's equations (Osborn & Molzahn, 1995;Krivoruchenko & Faessler, 2006b) and are the characteristics by which the time-dependent Weyl's symbols for the other operators can be determined (Krivoruchenko & Faessler, 2006b;Krivoruchenko et al., 2006c Krivoruchenko et al., , 2007)).In the classical limit, quantum characteristics reduce to classical trajectories.Knowledge of the quantum phase flow, i.e., the quantum trajectories, is equivalent to a complete knowledge of the quantum dynamics.In this chapter, we provide an introduction to deformation quantisation and demonstrate the usefulness of the formalism in solving the evolution problem for many-body systems in terms of semiclassical expansion.We show that, in any fixed order of expansion over the Planck's constant, the evolution problem can be reduced to a statistical-mechanics problem of calculating an ensemble of quantum characteristics in the phase space and their Jacobi fields.In comparison with the corresponding rules of classical statistical mechanics, the rules for computing the probabilities and time-dependent averages of observables are www.intechopen.com

InTech eBooks•Feb 22, 2012•0 citations
The Weyl transform is applied in quantum dynamics to derive and extend Moyal's statistical theory of phase-space distributions for noncommuting coordinate and momentum operators. The distinction is made between Weyl transforms in Schrödinger and Heisenberg pictures; the general case of time-dependent Hamiltonians is considered. The Wigner function for the probability distribution in a phase space of Cartesian coordinates Q and momenta K propagates according to a conditional probability P(t, Q, K | t0, Q0, K0), which is exhibited as a Feynman path integral in phase space. Properties of P(t, Q, K | t0, Q0, K0) are developed; it is expressed in terms of the quantum generalization of the classical Liouville operator. The Weyl transform of a Heisenberg operator propagates according to P(t, Q0, K0 | t0, Q, K) which is also given as a Feynman path integral. An equation for the time evolution of Weyl transforms of Heisenberg operators is obtained, according to which the transform of Heisenberg coordinate and momentum operators obey a quantum form of Hamilton's equations of motion. If the initial density operator of the system commutes with the coordinate operator, then the state of the system is a mixture of pure coordinate states; the spectrum of the density operator in this case is continuous. For a Heisenberg operator AH(t) with Weyl transform AH(t, Q, K), the function A(t,Q)=∫dKAH(t,Q,K) is the expectation at time t of the dynamical property for a quantum system initially in a pure state of coordinate Q; it is the quantum-mechanical generalization of the dynamical property of the system along the classical trajectory in configuration space at time t. The probability amplitude for the time dependence of A(t,Q) can be expressed as a Feynman path integral with a Heisenberg Lagrangian. The amplitude of the conditional probability P(t, Q | t0, Q0) considered by Feynman is expressed as a path integral with a Schrödinger Lagrangian. The velocity in the Heisenberg Lagrangian is the negative of that in the Schrödinger Lagrangian of Feynman, but it agrees with the velocity appearing in the Hamiltonian equations. It is the Heisenberg Lagrangian that is the Lagrangian of classical dynamics. For a particle whose potential energy is a function of position, a quantum form of Newton's second law is obtained. An extension of the formalism to non-Cartesian coordinate systems is given.
The method of Weyl transforms is used to rigorously derive path integral forms for position and momentum transition amplitudes from the time-dependent Schrödinger equation for arbitrary Hermitian Hamiltonians. It is found that all paths in phase space contribute equally in magnitude, but that each path has a different phase, equal to 1/h/ times an ’’effective action’’ taken along it. The latter is the time integral of p⋅q̇−h (p,q), h (p,q) being the Weyl transform of the Hamiltonian operator H, which differs from the classical Hamiltonian function by terms of order h/2, vanishing in the classical limit. These terms, which can be explicitly computed, are zero for relatively simple Hamiltonians, such as (1/2M)[P−eA (Q)]2+V (Q), but appear when the coupling of the position and momentum operators is stronger, such as for a relativistic spinless particle in an electromagnetic field, or when configuration space is curved. They are always zero if one opts for Weyl’s rule for forming the quantum operator corresponding to a given classical Hamiltonian. The transition amplitude between two position states is found to be expressible as a path integral in configuration space alone only in very special cases, such as when the Hamiltonian is quadratic in the momenta.
The Weyl correspondence for obtaining quantum operators from functions of classical coordinates and momenta is known to be incorrect. To calculate quantum-mechanical expectation values as phase-space averages with the Wigner density function, one cannot use classical functions but must use Weyl transforms. These transforms are defined and their properties derived from quantum mechanics. Their properties are expressed in terms of a Hermitian operator Δ(Q, K) whose Weyl transform is a δ function. The Wigner function is the transform of the density operator. Every Weyl transform is exhibited as a difference of two functions which are nonnegative on the phase spece. Weyl transforms do not obey the algebra of classical functions. In the classical limit ℏ → 0, Weyl transforms become classical functions, the Wigner function becomes nonnegative throughout the phase space, and the Hilbert space is spanned by an orthonormal set of vectors which are simultaneous eigenkets of the commuting coordinate and momentum operators.
We begin with a presentation of the Schwinger variational principle in quantum mechanics. In the second part, after a re-assessment of the problem of motion in quantum mechanics, it is shown that the Green kernel, which represents the probability amplitude of finding a particle in space at a given time, once its location at another time is known, can be represented by a sum over ‘space–time paths’. According to this interpretation, one integrates the exponential of i times the classical action divided by ħ, with a (formal) measure over all space–time paths matching the initial location x i at time t i and the final location x f at time t f . Such a way of evaluating the Green kernel is applied to any quadratic Lagrangian for a generic quantum system including, in particular, the harmonic oscillator and the free particle. Lastly, we outline a formalism which involves ordinary functions of commuting variables, and exactly reproduces ordinary quantum mechanics. It works with a phase space endowed with commuting coordinates, so that one is dealing with quantum mechanics in phase space. The Schwinger formulation of quantum dynamics In both the Schrödinger formulation in terms of wave functions (with associated state vectors) and the Heisenberg formulation in terms of noncommuting matrices (with corresponding linear operators) the dynamical evolution is specified in terms of the Hamiltonian. This has motivated our presentation of classical dynamics, but is in marked contrast with the view according to which the Lagrangian and the action specify the dynamics. Hamilton's principle is formulated in terms of the action, the time integral of the Lagrangian.
The Moyal description of quantum mechanics, based on the Wigner-Weyl isomorphism between operators and symbols, provides a comprehensive phase space representation of dynamics. The Weyl symbol image of the Heisenberg picture evolution operator is regular in ħ and so presents a preferred foundation for semiclassical analysis. Its semiclassical expansion "coefficients," acting on symbols that represent observables, are simple, globally defined (phase space) differential operators constructed in terms of the classical flow. The first of two presented methods introduces a cluster-graph expansion for the symbol of an exponentiated operator, which extends Groenewold′s formula for the Weyl product of two symbols and has ħ as its natural small parameter. This Poisson bracket based cluster expansion determines the Jacobi equations for the semiclassical expansion of "quantum trajectories." Their Green function solutions construct the regular ħ ⇓ 0 asymptotic series for the Heisenberg-Weyl evolution map. The second method directly substitutes such a series into the Moyal equation of motion and determines the ħ coefficients recursively. In contrast to the WKB approximation for propagators, the Heisenberg-Weyl description of evolution involves no essential singularity in ħ, no Hamilton-Jacobi equation to solve for the action, and no multiple trajectories, caustics, or Maslov indices.
This thesis addresses aspects of quantum phase and sets out to draw attention to a collection of new and extend some not so new techniques utilizing Weyl's correspondence rule and its inverse. The phase formulation of quantum mechanics is as old as quantum mechanics itself and evolved over a period of two decades due to the contributions of H. Weyl \cite{Weyl1950}, E. P. Wigner \cite{Wigner1932}, H. Groenewold \cite{Groenewold1946} and J. E. Moyal \cite{Moyal1949}. Over the ensuing years the phase picture has matured into a practical analytical tool, and has generated a multitude of technical papers, reports, reviews, and expositions from many authors and commentators. One reason for its success is that it offers an intuitive picture of quantum mechanics owing to its \it{classical look and feel}, and it has made an impression, in one way or another, in many fields such as mathematical physics, quantum optics, and physical chemistry.The thesis opens with a brief history of classical phase space, tracing the possible origin of the term ``phase space itself, and chronicles the events leading to the conceptualization (and generalization) of quantum phase space. In Chapter 2 the Weyl correspondence is recast in terms of von Neumann's integral kernel transform and a heuristic analysis is given from this perspective. A characteristic of Weyl's correspondence rule and its inverse is that there are two inherent representations of the same operator. These have been referred to as the Weyl representation and Wigner representation and are related by a symplectic Fourier transform. For an arbitrary outer dyadic operator it is shown that the Weyl representation leads to the \it{modified} Gabor transform (known to Signal Processing), while the Wigner representation specializes to the Bargmann transform and a representation in terms of analytic functions. Calculating Weyl-Wigner (WW) transforms of products of nnn operators, from first principles, has proved to be a technically difficult problem. However, with the machinery developed in Chapter 2 the problem is reduced to a straightforward algebraic exercise. Finally, forming an sss-parametrized generalization of Weyl's correspondence rule and focusing on the Weyl representation it is shown to lead to an intimate relationship with the relative state formalism \cite{Ban1998}. Weyl's correspondence rule is only applicable to operators and consequently state vectors ∣ψ⟩|\psi\rangle∣ψ⟩ are not represented in the usual formulation of quantum phase space. This problem is circumvented in Chapter 3 by introducing the notion of a normalized fixed state (or window) vector ∣φ0⟩|\varphi_0\rangle∣φ0​⟩ to form an outer dyadic product $\wh{\Psi} = |\psi\rangle\langle\varphi_0|$. The WW transform of this product under the action of the Weyl's rule is a complex valued function of real variables called a phase amplitude and denoted by the symbol Ψ\PsiΨ. The phase amplitudes have many (and sometimes surprising) properties. For example they: \begin{itemize} \item form the building blocks of Wigner functions WWW by admitting a generalized Born rule W=Ψ⋆ΨˉW = \Psi \star \bar{\Psi}W=Ψ⋆Ψˉ, and as such can be considered to be a more fundamental objects than Wigner functions; \item superpose and interfere like the state vectors they represent; \item specialize to the Bargmann and Gabor transforms when a Gaussian window is chosen; \end{itemize} \ni In Chapter 4 further aspects of phase amplitudes are explored and discussed. For example it is shown that they: \begin{itemize} \item define phase state vectors which form an over complete set and are elements of a reproducing kernel Hilbert space; \item allow unitary ray representations of the group symmetries of translation, rotation and time reversal; \item evolve in phase under the influence of a propagator R\cal{R}R which is intimately related to the Wigner propagator PPP. \end{itemize} Chapter 5 considers an extension of phase amplitudes to include systems with finitely many degrees of freedom. These are called spin amplitudes and are obtained by first forming the outer dyadic product of a spin state vector with an arbitrary fixed spin state vector, and then applying a finite-dimensional analogue of the WW transform. The spin amplitude operator is represented as an n×nn \times nn×n matrix, whose elements are products of the spin components of the spin and fixed state vectors. Two kinds of spin amplitudes are considered, arising on the sphere S2\cal{S}^2S2 or on a (2j+1)(2j + 1)(2j+1) dimensional lattice. In the special case of spin-$\half$ systems it is shown that the spin amplitudes transform as spinors under rotations on both the sphere and lattice. As a physical application the spin amplitudes for a spin-$\half$ magnetic dipole are found for a Nuclear Magnetic Resonance (NMR) environment. Chapter 6 considers Schwinger's abstract approach to quantum mechanics which takes into account the inability to indefinitely compensate for fluctuations in the measurement process. The resulting measurement algebra provides a symbolic representation of the physical laws as opposed to the mathematical abstraction (of von Neumann and Dirac) that was justified \it{\'a posteriori} by being in agreement with experiment. Despite Schwinger's prolific work on the subject of measurement algebra, its interpretation in quantum phase remained an open issue. It is shown that the key to formulating a quantum phase in terms of the measurement operators and transformation functions is the determination of a suitable set of basis operators for an arbitrary measurement operator. Many new results follow as a consequence of expanding an arbitrary measurement operator in this basis. In Chapter 7 the quantum-classical interface is explored by considering Hamilton's principal function or action S(q,v,t)S(q,v,t)S(q,v,t). Starting from a purely heuristic classical argument, a phase function U(p,q,t)U(p,q,t)U(p,q,t) is derived in terms of the classical action and is shown to be proportional to the WW transform of the quantum evolution operator. This association leads to the transform \be U(p,q,t) = A(t) \int e^{ipv/\hbar} e^{iS(q,v,t)/\hbar} \; \rm{d}v, \ee which enables one, in principle, to deduce the Wigner functions of a given system when only the classical action is known. Simple physical systems are used to provide examples illustrating this approach.
Among the equivalent formulations of quantum mechanics, Heisenberg's matrix mechanics and quantum theory, based on the Schrödinger wave equation, are the most technically advanced.Since the advent of quantum mechanics, these two schemes have provided the mathematical tools and the primary basis for the description of quantum phenomena.The path integral method developed by Dirac and Feynman has important advantages in the quantisation of gauge theories.We discuss here the formulation of quantum mechanics in phase space, known as deformation quantisation.Deformation quantisation uses the Wigner-Weyl association rule (Weyl, 1927(Weyl, , 1929(Weyl, , 1931;;Wigner, 1932) to establish a one-to-one correspondence between the functions in the phase space and the operators in the Hilbert space.Wigner's function appears as the Weyl symbol of the density matrix.A consistent dynamical description of the systems with the help of the Wigner function leads to deformation quantization.A useful formulation of the Wigner-Weyl association rule was proposed by Groenewold (1946) andStratonovich (1957).Groenewold introduced a non-commutative associative -product (star-product) of the functions in the phase space (Groenewold, 1946).The evolution of the quantum systems is determined by the antisymmetric part of the -product (Groenewold, 1946;Moyal, 1949), known as the Moyal bracket.The Moyal bracket represents the quantum deformation of the Poisson bracket.Deformation quantisation preserves many features of classical Hamiltonian dynamics.The formulation of deformation quantisation is based on the Wigner function and the Moyal bracket (i.e., the -product).The Wigner-Weyl association rule is necessary to prove the equivalence of deformation quantisation and the standard formalisms of quantum mechanics.Extensive literature has reported on the formulation of quantum mechanics in the phase space and the -product.We refer the reader to excellent reviews by Bayen et al. (1978a, 1978b), Carruthers & Zachariasen (1983), Balazs & Jennings (1984), Hillery et al. (1983), Karasev & Maslov (1991), and Osborn & Molzahn (1995), where one may find additional references.Wigner's function, as a fundamental object of deformation quantisation, has numerous applications in many-body physics, kinetic theory, collision theory, and quantum chemistry.Transport models, originally created to simulate chemical reactions, have been modified and are widely used to describe heavy-ion collisions.www.intechopen.comSome Applications of Quantum Mechanics 68 Deformation quantisation does not have many recognised successful applications in quantum theory.Recently, attempts have been made to use specific properties of the formalism to investigate semiclassical expansion (Osborn & Molzahn, 1995;McQuarrie et al., 1998) and to calculate the determinants of one-loop operators in field theory (Pletnev & Banin, 1999;Banin et al., 2001) and the high-order corrections to the Bohr-Sommerfeld quantisation rule (Gracia-Saz, 2004;Cargo et al., 2005).Potential applications of deformation quantisation in transport models are presented in this review.Transport models for heavy-ion physics are designed for phenomenological descriptions of the complex dynamics of nuclear collisions.Several types of advanced transport models are based on the Boltzmann-Uhlenbeck-Ueling equations (BUU) (Blaettel et al., 1993), (relativistic) quantum molecular dynamics (QMD/RQMD) (Sorge et al., 1989;Aichelin, 1991;Faessler, 1992), or antisymmetrised molecular dynamics (AQMD) (Feldmeier & Schnack, 1997).These approaches have the correct classical limit and they contain special plug-ins and quantum-mechanical attributes, such as Pauli blocking for binary collisions of fermions.Numerical solutions are implemented through the distribution of test particles (BUU) or centroids of wave packets (QMD, AQMD) for classical trajectories in the phase space.For AQMD, the wave packets are antisymmetrised in their parameters.The transport models provide a solid basis for a phenomenological description of a variety of complex nuclear collisions phenomena.However, quantum coherence effects and non-localities are beyond the scope of these models.The internal consistencies of the approximations in the models remain a subject of debate, promoting further developments (see, for example, papers by Kohler (1995) andFeldmeier &Schnack (1997) and references therein).The most striking feature of the transport models is the depiction of the trajectories in the phase space, which are test particles or centroids of wave packets.The evolution of the system of classical particles can be calculated using standard programs to solve first-order ordinary differential equations (ODEs).At the same time, the evolution of wave functions of many-body systems is a field-theoretic problem with an infinite number of degrees of freedom that cannot be solved either analytically or numerically.Any simulation of many-body quantum dynamics must be based on a concept of trajectories, which is the only attribute allowing access to an approximate description of complex quantum systems.The concept of phase-space trajectories arises naturally in the formalism of deformation quantisation through the Wigner transformation of the operators of the canonical coordinates and momenta in the Heisenberg representation.These trajectories satisfy the quantum version of Hamilton's equations (Osborn & Molzahn, 1995;Krivoruchenko & Faessler, 2006b) and are the characteristics by which the time-dependent Weyl's symbols for the other operators can be determined (Krivoruchenko & Faessler, 2006b;Krivoruchenko et al., 2006c Krivoruchenko et al., , 2007)).In the classical limit, quantum characteristics reduce to classical trajectories.Knowledge of the quantum phase flow, i.e., the quantum trajectories, is equivalent to a complete knowledge of the quantum dynamics.In this chapter, we provide an introduction to deformation quantisation and demonstrate the usefulness of the formalism in solving the evolution problem for many-body systems in terms of semiclassical expansion.We show that, in any fixed order of expansion over the Planck's constant, the evolution problem can be reduced to a statistical-mechanics problem of calculating an ensemble of quantum characteristics in the phase space and their Jacobi fields.In comparison with the corresponding rules of classical statistical mechanics, the rules for computing the probabilities and time-dependent averages of observables are www.intechopen.com