Uniform Semiclassical Approximation for the Wigner 6j6j Symbol in Terms of Rotation Matrices

A new uniform asymptotic approximation for the Wigner $6j$ symbol is given in terms of Wigner rotation matrices ($d$-matrices). The approximation is uniform in the sense that it applies for all values of the quantum numbers, even those near caustics. The derivation of the new approximation is not given, but the geometrical ideas supporting it are discussed and numerical tests are presented, including comparisons with the exact $6j$-symbol and with the Ponzano-Regge approximation.Comment: 44 pages plus 20 figure

Adiabatic motion of a neutral spinning particle in an inhomogeneous magnetic field

The motion of a neutral particle with a magnetic moment in an inhomogeneous magnetic field is considered. This situation, occurring, for example, in a Stern-Gerlach experiment, is investigated from classical and semiclassical points of view. It is assumed that the magnetic field is strong or slowly varying in space, i.e., that adiabatic conditions hold. To the classical model, a systematic Lie-transform perturbation technique is applied up to second order in the adiabatic-expansion parameter. The averaged classical Hamiltonian contains not only terms representing fictitious electric and magnetic fields but also an additional velocity-dependent potential. The Hamiltonian of the quantum-mechanical system is diagonalized by means of a systematic WKB analysis for coupled wave equations up to second order in the adiabaticity parameter, which is coupled to Planck’s constant. An exact term-by-term correspondence with the averaged classical Hamiltonian is established, thus confirming the relevance of the additional velocity-dependent second-order contribution

Symplectic and Semiclassical Aspects of the Schl\"afli Identity

The Schl\"afli identity, which is important in Regge calculus and loop quantum gravity, is examined from a symplectic and semiclassical standpoint in the special case of flat, 3-dimensional space. In this case a proof is given, based on symplectic geometry. A series of symplectic and Lagrangian manifolds related to the Schl\"afli identity, including several versions of a Lagrangian manifold of tetrahedra, are discussed. Semiclassical interpretations of the various steps are provided. Possible generalizations to 3-dimensional spaces of constant (nonzero) curvature, involving Poisson-Lie groups and q-deformed spin networks, are discussed.Comment: 40 pages, 8 figure

Diagonalization of multicomponent wave equations with a Born-Oppenheimer example

A general method to decouple multicomponent linear wave equations is presented. First, the Weyl calculus is used to transform operator relations into relations between c-number valued matrices. Then it is shown that the symbol representing the wave operator can be diagonalized systematically up to arbitrary order in an appropriate expansion parameter. After transforming the symbols back to operators, the original problem is reduced to solving a set of linear uncoupled scalar wave equations. The procedure is exemplified for a particle with a Born-Oppenheimer-type Hamiltonian valid through second order in h. The resulting effective scalar Hamiltonians are seen to contain an additional velocity-dependent potential. This contribution has not been reported in recent studies investigating the adiabatic motion of a neutral particle moving in an inhomogeneous magnetic field. Finally, the relation of the general method to standard quantum-mechanical perturbation theory is discussed

Semiclassical Time Evolution and Trace Formula for Relativistic Spin-1/2 Particles

We investigate the Dirac equation in the semiclassical limit \hbar --> 0. A semiclassical propagator and a trace formula are derived and are shown to be determined by the classical orbits of a relativistic point particle. In addition, two phase factors enter, one of which can be calculated from the Thomas precession of a classical spin transported along the particle orbits. For the second factor we provide an interpretation in terms of dynamical and geometric phases.Comment: 8 pages, no figure

Kinematic Orbits and the Structure of the Internal Space for Systems of Five or More Bodies

The internal space for a molecule, atom, or other n-body system can be conveniently parameterised by 3n-9 kinematic angles and three kinematic invariants. For a fixed set of kinematic invariants, the kinematic angles parameterise a subspace, called a kinematic orbit, of the n-body internal space. Building on an earlier analysis of the three- and four-body problems, we derive the form of these kinematic orbits (that is, their topology) for the general n-body problem. The case n=5 is studied in detail, along with the previously studied cases n=3,4.Comment: 38 pages, submitted to J. Phys.

Boundary Conditions on Internal Three-Body Wave Functions

For a three-body system, a quantum wave function $\Psi^\ell_m$ with definite $\ell$ and $m$ quantum numbers may be expressed in terms of an internal wave function $\chi^\ell_k$ which is a function of three internal coordinates. This article provides necessary and sufficient constraints on $\chi^\ell_k$ to ensure that the external wave function $\Psi^\ell_m$ is analytic. These constraints effectively amount to boundary conditions on $\chi^\ell_k$ and its derivatives at the boundary of the internal space. Such conditions find similarities in the (planar) two-body problem where the wave function (to lowest order) has the form $r^{|m|}$ at the origin. We expect the boundary conditions to prove useful for constructing singularity free three-body basis sets for the case of nonvanishing angular momentum.Comment: 41 pages, submitted to Phys. Rev.

Total Angular Momentum Conservation in Ab Initio Born-Oppenheimer Molecular Dynamics

We prove both analytically and numerically that the total angular momentum of a molecular system undergoing adiabatic Born-Oppenheimer dynamics is conserved only when pseudo-magnetic Berry forces are taken into account. This finding sheds light on the nature of Berry forces for molecular systems with spin-orbit coupling and highlights how ab initio Born-Oppenheimer molecular dynamics simulations can successfully capture the entanglement of spin and nuclear degrees of freedom as modulated by electronic interactions

Semiclassical Analysis of the Wigner 9J9J-Symbol with Small and Large Angular Momenta

We derive a new asymptotic formula for the Wigner $9j$-symbol, in the limit of one small and eight large angular momenta, using a novel gauge-invariant factorization for the asymptotic solution of a set of coupled wave equations. Our factorization eliminates the geometric phases completely, using gauge-invariant non-canonical coordinates, parallel transports of spinors, and quantum rotation matrices. Our derivation generalizes to higher $3nj$-symbols. We display without proof some new asymptotic formulas for the $12j$-symbol and the $15j$-symbol in the appendices. This work contributes a new asymptotic formula of the Wigner $9j$-symbol to the quantum theory of angular momentum, and serves as an example of a new general method for deriving asymptotic formulas for $3nj$-symbols.Comment: 18 pages, 16 figures. To appear in Phys. Rev.

Quantum dynamics and breakdown of classical realism in nonlinear oscillators

The dynamics of a quantum nonlinear oscillator is studied in terms of its quasi-flow, a dynamical mapping of the classical phase plane that represents the time-evolution of the quantum observables. Explicit expressions are derived for the deformation of the classical flow by the quantum nonlinearity in the semiclassical limit. The breakdown of the classical trajectories under the quantum nonlinear dynamics is quantified by the mismatch of the quasi-flow carried by different observables. It is shown that the failure of classical realism can give rise to a dynamical violation of Bell's inequalities.Comment: RevTeX 4 pages, no figure