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The Journal of Chemical Physics

The discrete representation correspondence between quantum and classical spatial distributions of angular momentum vectors

Roger W. Anderson, Vincenz̊o Aquilanti

Published Jun 5, 2006• 30 citations
Publisher

Abstract

This work demonstrates that the quantum mechanical moments of a state described by the density matrix correspond to discrete spherical harmonic moments of the classical multipole expansion of the spatial distribution of the angular momentum vectors. For the diagonal density matrix elements, this work exploits the fact that the quantum mechanical vector coupling (Clebsch-Gordan) coefficients become increasingly accurate discrete representations of spherical harmonics as j increases. A Schwinger-type basis accounts for nonaxially symmetric angular distributions, which result in nonzero off-diagonal elements of the density matrix. The resulting discrete minimum uncertainty picture of the classical moments has a stringent equivalence with the quantum mechanical one for all j and provides an unambiguous connection for the classical and quantum moments in the large j limit. The equivalence is numerically tested for simple models, and there is a satisfying equivalence even for small j. Applications, implications, and extensions are indicated, and the relevance of this work for the interpretation of classical mechanical simulations of inelastic and reactive molecular collisions will be documented elsewhere.

DOI
10.1063/1.2200338

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This work demonstrates that the quantum mechanical moments of a state described by the density matrix correspond to discrete spherical harmonic moments of the classical multipole expansion of the spatial distribution of the angular momentum vectors. For the diagonal density matrix elements, this work exploits the fact that the quantum mechanical vector coupling (Clebsch-Gordan) coefficients become increasingly accurate discrete representations of spherical harmonics as j increases. A Schwinger-type basis accounts for nonaxially symmetric angular distributions, which result in nonzero off-diagonal elements of the density matrix. The resulting discrete minimum uncertainty picture of the classical moments has a stringent equivalence with the quantum mechanical one for all j and provides an unambiguous connection for the classical and quantum moments in the large j limit. The equivalence is numerically tested for simple models, and there is a satisfying equivalence even for small j. Applications, implications, and extensions are indicated, and the relevance of this work for the interpretation of classical mechanical simulations of inelastic and reactive molecular collisions will be documented elsewhere.
Abstract Angular momentum in classical mechanics is given by a vector. The plane perpendicular to this vector, in accordance to central field theory, determines the space in which particle motion takes place. No such simple picture exists in quantum mechanics. The states of a particle in a central field are proportional to spherical harmonics which do not define any plane of motion. In the first part of this paper we discuss the angular distribution of particle position and compare it to the classical probabilistic approach. In the second part, the matter of addition of angular momenta is discussed. In classical mechanics this means addition of vectors, while in quantum mechanics Clebsch–Gordan coefficients have to be used. We have found classical approximations to quantum coefficients and the limit of their applicability. This analysis gives a basis for the so-called ‘vector addition model’ used in some elementary textbooks on atomic physics. It can help to better understand the addition of angular momenta in quantum mechanics.
We have recently reported a derivation of the relationship between the quantum and classical descriptions of angular momentum polarization [M. P. de Miranda and F. Javier Aoiz, Phys. Rev. Lett. 93, 083201 (2004)]. This paper presents a detailed account of the derivation outlined in that paper, and discusses the implications of the new results. These include (i) a new expression of the role of the uncertainty principle in the broadening of angular momentum distributions, (ii) the attribution of azimuthal fluctuations of angular momentum distributions to spatial quantum beats, (iii) the definition of a new Fourier transform of the density matrix, distinct from those suggested in the past, that provides an alternative view of how the quantum description of angular momentum polarization approaches the classical one in the correspondence principle limit, (iv) a prescription for the determination of a quasiclassical angular momentum distribution function that does not suffer from problems encountered with its purely classical counterpart, and (v) a description of how angular momentum distributions commonly visualized with recourse to the classical vector model can be depicted with exact and well-defined quantum mechanics.
In quantum mechanics, spatial wavefunctions describe distributions of a particle's position or momentum, but not of angular momentum jjj. In contrast, here we show that a spatial wavefunction, jm(ϕ,θ,χ)= eimϕδ(θ−θm) ei(j+1/2)χj_m (ϕ,θ,χ)=~e^{i m ϕ} δ(θ- θ_m) ~e^{i(j+1/2)χ}jm​(ϕ,θ,χ)= eimϕδ(θ−θm​) ei(j+1/2)χ, which treats jjj in the ∣jm>|jm>∣jm> state as a three-dimensional entity, is an asymptotic eigenfunction of angular-momentum operators; ϕϕϕ, θθθ, χχχ are the Euler angles, and cosθm=(m/∣j∣)cos θ_m=(m/|j|)cosθm​=(m/∣j∣) is the Vector-Model polar angle. The jm(ϕ,θ,χ)j_m (ϕ,θ,χ)jm​(ϕ,θ,χ) gives a computationally simple description of particle and orbital-angular-momentum wavepackets (constructed from Gaussian distributions in jjj and mmm) which predicts the effective wavepacket angular uncertainty relations for ΔmΔϕΔm ΔϕΔmΔϕ, ΔjΔχΔj ΔχΔjΔχ, and ΔϕΔθΔϕΔθΔϕΔθ, and the position of the particle-wavepacket angular motion on the orbital plane. The particle-wavepacket rotation can be experimentally probed through continuous and non-destructive jjj-rotation measurements. We also use the jm(ϕ,θ,χ)j_m (ϕ,θ,χ)jm​(ϕ,θ,χ) to determine well-known asymptotic expressions for Clebsch-Gordan coefficients, Wigner d-functions, the gyromagnetic ratio of elementary particles, g=2g=2g=2, and the m-state-correlation matrix elements, $$. Interestingly, for low j, even down to j=1/2j=1/2j=1/2, these expressions are either exact (the last two) or excellent approximations (the first two), showing that jm(ϕ,θ,χ)j_m (ϕ,θ,χ)jm​(ϕ,θ,χ) gives a useful spatial description of quantum-mechanical angular momentum, and provides a smooth connection with classical angular momentum.
Abstract The work of Carruthers & Nieto on the harmonic oscillator coherent states is combined with Schwinger’s construction of angular momentum to produce the angular momentum coherent states. It is shown that these states become the vector representatives of angular momentum in the classical limit, and so are particularly useful for discussing the transition from quantum to classical angular momentum. The uncertainty relations for angle and angular momentum are described and are compatible with the classical limit. Under rotations the coherent states transform in a manner that in the classical limit is equivalent to the transformation of vectors, and in the same limit the root mean square variation of the expectation values of the components of angular momentum become negligible in comparison with the expectation values themselves. The coupling of two angular momenta in the classical limit is investigated: it is shown that although the product of two coherent states is not itself a coherent state, it does represent a packet similar to a true coherent state, and centred on the direction of the classical resultant of the two component vectors. The properties and implications of hyperbolic angular momentum space are discussed.
This book offers a concise introduction to the angular momentum, one of the most fundamental quantities in all of quantum mechanics. Beginning with the quantization of angular momentum, spin angular momentum, and the orbital angular momentum, the author goes on to discuss the Clebsch-Gordan coefficients for a two-component system. After developing the necessary mathematics, specifically spherical tensors and tensor operators, the author then investigates the 3- j , 6- j , and 9- j symbols. Throughout, the author provides practical applications to atomic, molecular, and nuclear physics. These include partial-wave expansions, the emission and absorption of particles, the proton and electron quadrupole moment, matrix element calculation in practice, and the properties of the symmetrical top molecule.