Involution and Constrained Dynamics I: The Dirac Approach

We study the theory of systems with constraints from the point of view of the formal theory of partial differential equations. For finite-dimensional systems we show that the Dirac algorithm completes the equations of motion to an involutive system. We discuss the implications of this identification for field theories and argue that the involution analysis is more general and flexible than the Dirac approach. We also derive intrinsic expressions for the number of degrees of freedom.Comment: 28 pages, latex, no figure

Dual characterization of critical fluctuations: Density functional theory & nonlinear dynamics close to a tangent bifurcation

We improve on the description of the relationship that exists between critical clusters in thermal systems and intermittency near the onset of chaos in low-dimensional systems. We make use of the statistical-mechanical language of inhomogeneous systems and of the renormalization group (RG) method in nonlinear dynamics to provide a more accurate, formal, approach to the subject. The description of this remarkable correspondence encompasses, on the one hand, the density functional formalism, where classical and quantum mechanical analogues match the procedure for one-dimensional clusters, and, on the other, the RG fixed-point map of functional compositions that captures the essential dynamical behavior. We provide details of how the above-referred theoretical approaches interrelate and discuss the implications of the correspondence between the high-dimensional (degrees of freedom) phenomenon and low-dimensional dynamics.Comment: 8 figure

Semiclassical approximations for Hamiltonians with operator-valued symbols

We consider the semiclassical limit of quantum systems with a Hamiltonian given by the Weyl quantization of an operator valued symbol. Systems composed of slow and fast degrees of freedom are of this form. Typically a small dimensionless parameter $\varepsilon\ll 1$ controls the separation of time scales and the limit $\varepsilon\to 0$ corresponds to an adiabatic limit, in which the slow and fast degrees of freedom decouple. At the same time $\varepsilon\to 0$ is the semiclassical limit for the slow degrees of freedom. In this paper we show that the $\varepsilon$-dependent classical flow for the slow degrees of freedom first discovered by Littlejohn and Flynn, coming from an \epsi-dependent classical Hamilton function and an $\varepsilon$-dependent symplectic form, has a concrete mathematical and physical meaning: Based on this flow we prove a formula for equilibrium expectations, an Egorov theorem and transport of Wigner functions, thereby approximating properties of the quantum system up to errors of order $\varepsilon^2$. In the context of Bloch electrons formal use of this classical system has triggered considerable progress in solid state physics. Hence we discuss in some detail the application of the general results to the Hofstadter model, which describes a two-dimensional gas of non-interacting electrons in a constant magnetic field in the tight-binding approximation.Comment: Final version to appear in Commun. Math. Phys. Results have been strengthened with only minor changes to the proofs. A section on the Hofstadter model as an application of the general theory was added and the previous section on other applications was remove

Symplectic quaternion scheme for biophysical molecular dynamics

Massively parallel biophysical molecular dynamics simulations, coupled with efficient methods, promise to open biologically significant time scales for study. In order to promote efficient fine-grained parallel algorithms with low communication overhead, the fast degrees of freedom in these complex systems can be divided into sets of rigid bodies. Here, a novel Hamiltonian form of a minimal, nonsingular representation of rigid body rotations, the unit quaternion, is derived, and a corresponding reversible, symplectic integrator is presented. The novel technique performs very well on both model and biophysical problems in accord with a formal theoretical analysis given within, which gives an explicit condition for an integrator to possess a conserved quantity, an explicit expression for the conserved quantity of a symplectic integrator, the latter following and in accord with Calvo and Sanz-Sarna, Numerical Hamiltonian Problems (1994), and extension of the explicit expression to general systems with a flat phase space

Fermionic bound states in Minkowski-space: Light-cone singularities and structure

The Bethe-Salpeter equation for two-body bound system with spin $1/2$ constituent is addressed directly in the Minkowski space. In order to accomplish this aim we use the Nakanishi integral representation of the Bethe-Salpeter amplitude and exploit the formal tool represented by the exact projection onto the null-plane. This formal step allows one i) to deal with end-point singularities one meets and ii) to find stable results, up to strongly relativistic regimes, that settles in strongly bound systems. We apply this technique to obtain the numerical dependence of the binding energies upon the coupling constants and the light-front amplitudes for a fermion-fermion $0^+$ state with interaction kernels, in ladder approximation, corresponding to scalar-, pseudoscalar- and vector boson exchanges, respectively. After completing the numerical survey of the previous cases, we extend our approach to a quark-antiquark system in $0^-$ state, taking both constituent-fermion and exchanged boson masses, from lattice calculations. Interestingly, the calculated light-front amplitudes for such a mock pion show peculiar signatures of the spin degrees of freedom.Comment: 22 pages, 7 figures, bst file include