Reduction of constrained mechanical systems and stability of relative equilibria

A mechanical system with perfect constraints can be described, under some mild assumptions, as a constrained Hamiltonian system(M, , H, D, W): (M, ) (thephase space) is a symplectic manifold,H (theHamiltonian) a smooth function onM, D (theconstraint submanifold) a submanifold ofM, andW (theprojection bundle) a vector sub-bundle ofT _D M, the reduced tangent bundle alongD. We prove that when these data satisfy some suitable conditions, the time evolution of the system is governed by a well defined differential equation onD. We define constrained Hamiltonian systems with symmetry, and prove a reduction theorem. Application of that theorem is illustrated on the example of a convex heavy body rolling without slipping on a horizontal plane. Two other simple examples show that constrained mechanical systems with symmetry may have an attractive (or repulsive) set of relative equilibria.     

Algebraic methods applied to the study of energy transfer in anharmonic systems

We make use of two different methodologies to study the transition probabilities in a molecular anharmonic system in the presence of an external perturbation. For the first method, we use a series expansion of the displacement coordinate keeping up to fourth order terms; for the second method we use a deformed algebra to approximate the anharmonic Hamiltonian via a harmonic oscillator's Hamiltonian written in terms of deformed operators. We evaluate vibrational transition probabilities as a function of the collision energy and compare the results obtained with the two approaches.     

Truncated harmonic oscillator and parasupersymmetric quantum mechanics

We discuss in detail the parasupersymmetric quantum mechanics of arbitrary order where the parasupersymmetry is between the normal bosons and those corresponding to the truncated harmonic oscillator. We show that even though the parasusy algebra is different from that of the usual parasusy quantum mechanics, still the consequences of the two are identical. We further show that the parasupersymmetric quantum mechanics of arbitrary orderp can also be rewritten in terms ofp supercharges (i.e. all of which obeyQ _i ² =0). However, the Hamiltonian cannot be expressed in a simple form in terms of thep supercharges except in a special case. A model of conformal parasupersymmetry is also discussed and it is shown that in this case, thep supercharges, thep conformal supercharges along with HamiltonianH, conformal generatorK and dilatation generatorD form a closed algebra.     

A Non-Commutative Approach to Ordinary Differential Equations

We adapt ideas coming from Quantum Mechanics to develop a non-commutative strategy for the analysis of some systems of ordinary differential equations. We show that the solution of such a system can be described by an unbounded, self-adjoint and densely defined operator H which we call, in analogy with Quantum Mechanics, the Hamiltonian of the system. We discuss the role of H in the analysis of the integrals of motion of the system. Finally, we apply this approach to several examples. Pacs Numbers: 02.30.Hq, 03.65.-w, 03.65.Db     

The cluster expansion in statistical mechanics

The Glimm-Jaffe-Spencer cluster expansion from constructive quantum field theory is adapted to treat quantum statistical mechanical systems of particles interacting by finite range potentials. The HamiltonianH ₀+V need be stable in the extended sense thatH ₀+4V+BN0 for someB. In this situation, with a mild technical condition on the potentials, the cluster expansion converges and the infinite volume limit of the correlation functions exists, at low enough density. These infinite volume correlation functions cluster exponentially. We define a class of interacting boson and fermion particle theories with a matter-like potential, 1/r suitably truncated at large distance. This system would collapse in the absence of the exclusion principle—the potential is unstable—but the Hamiltonian is stable. This provides an example of a system for which our method proves existence of the infinite volume limit, that is not covered by the classic work of Ginibre, which requires stable potentials.One key ingredient is a type of Holder inequality for the expectation values of spatially smeared Euclidean densities, a special interpolation theorem. We also obtain a result on the absolute value of the fermion measure, it equals the boson measure.This work was supported in part by NSF Grant MPS 75-10751Michigan Junior Fellow     

Renormalization method for computing the threshold of the large-scale stochastic instability in two degrees of freedom Hamiltonian systems

An approximate renormalization procedure is derived for the HamiltonianH(v,x,t)=v²/2–M cosx–P cosk(x–t). It gives an estimate of the large scale stochastic instability threshold which agrees within 5–10% with the results obtained from direct numerical integration of the canonical equations. It shows that this instability is related to the destruction of KAM tori between the two resonances and makes the connection with KAM theory. Possible improvements of the method are proposed. The results obtained forH allow us to estimate the threshold for a large class of Hamiltonian systems with two degrees of freedom.     

Centrifugal distortion coefficients of asymmetric-top molecules: Reduction of the octic terms of the rotational Hamiltonian

The rotational Hamiltonian of an asymmetric-top molecule in its standard form, containing terms up to eighth degree in the components of the total angular momentum, is transformed by a unitary transformation with parameters S_pqr to a reduced Hamiltonian so as to avoid the indeterminacies inherent in fitting the complete Hamiltonian to observed energy levels. Expressions are given for the nine determinable combinations of octic constants Θ′_i (i = 1 to 9) which are invariant under the unitary transformation. A method of reduction suitable for energy calculations by matrix diagonalization is considered. The relations between the coefficients of the transformed Hamiltonian, for suitable choice of the parameters S_pqr, and those of the reduced Hamiltonian are given. This enables the determination of the nine octic constants Θ′_i in terms of the experimental constants.     

Low temperature phase diagrams for quantum perturbations of classical spin systems

We consider a quantum spin system with Hamiltonian $$H = H^{(0)} + \lambda V,$$ whereH ⁽⁰⁾ is diagonal in a basis ∣s〉=? _x ∣s _x 〉 which may be labeled by the configurationss={s_x} of a suitable classical spin system on ? ^d , $$H^{(0)} |s\rangle = H^{(0)} (s)|s\rangle .$$ We assume thatH ⁽⁰⁾(s) is a finite range Hamiltonian with finitely many ground states and a suitable Peierls condition for excitation, whileV is a finite range or exponentially decaying quantum perturbation. Mapping thed dimensional quantum system onto aclassical contour system on ad+1 dimensional lattice, we use standard Pirogov-Sinai theory to show that the low temperature phase diagram of the quantum spin system is a small perturbation of the zero temperature phase diagram of the classical HamiltonianH ⁽⁰⁾, provided λ is sufficiently small. Our method can be applied to bosonic systems without substantial change. The extension to fermionic systems will be discussed in a subsequent paper.     

A Symplectic Slice Theorem

We provide a model for an open invariant neighborhood of any orbit in a symplectic manifold endowed with a canonical proper symmetry. Our results generalize the constructions of Marle and Guillemin and Sternberg for canonical symmetries that have an associated momentum map. In these papers the momentum map played a crucial role in the construction of the tubular model. The present work shows that in the construction of the tubular model, the so-called Chu map, can be used instead, which exists for any canonical action, unlike the momentum map. Hamilton's equations for any invariant Hamiltonian function take on a particularly simple form in these tubular variables. As an application we will find situations, that we will call tubewise Hamiltonian, in which the existence of a standard momentum map in invariant neighborhoods is guaranteed.     

The cluster expansion for potentials with exponential fall-off

Continuing the work of a previous paper, the Glimm-Jaffe-Spencer cluster expansion from constructive quantum field theory is adapted to treat quantum statistical mechanical systems of particles interacting by potentials that fall off exponentially at large distance. The HamiltonianH ₀+V need be stable in the extended sense thatH ₀+4V+BN0 for someB. In this situation, with a mild technical condition on the potentials, the cluster expansion converges and the infinite volume limit of the correlation functions exists, at low enough density. These infinite volume correlation functions cluster exponentially. A natural system included in the present treatment is that of matter with ther ^–1 potential replaced bye ^–ar/r. The Hamiltonian is stable, but the system would collapse in the absence of the exclusion principle—the potential is unstable. Therefore this system cannot be handled by the classic work of Ginibre, which requires stable potentials.This work was supported in part by NSF Grant MPS 75-10751Michigan Junior Fellow     

Two New Classes of Isochronous Hamiltonian Systems

Abstract

An isochronous dynamical system is characterized by the existence of an open domain of initial data such that all motions evolving from it are completely periodic with a fixed period (independent of the initial data). Taking advantage of a recently introduced trick, two new Hamiltonian classes of such systems are identified.     

Theory of Tensor Invariants of Integrable Hamiltonian Systems. II. Theorem on Symmetries and Its Applications

The theorem on symmetries is proved that states that a Liouville-integrable Hamiltonian system is non-degene\-rate in Kolmogorov's sense and has compact invariant submanifolds if and only if the corresponding Lie algebra of symmetries is abelian. The theorem on symmetries has applications to the characterization problem, to the integrable hierarchies problem, to the necessary conditions for the strong dynamical compatibility problem, and to the problem on master symmetries. The invariant necessary conditions for the non-degenerate C-integrability in Kolmogorov's sense of a given dynamical system V are derived. It is proved that the C-integrable Hamiltonian system is non-degenerate in the iso-energetic sense if and only if the corresponding Lie algebra of the iso-energetic conformal symmetries is abelian. An extended concept of integrability of Hamiltonian systems on the symplectic manifolds M ⁿ , n= 2k, is introduced. The concept of integrability describes the Hamiltonian systems that have quasi-periodic dynamics on tori or on toroidal cylinders of an arbitrary dimension . This concept includes, as a particular case, all Hamiltonian systems that are integrable in Liouville's classical sense, for which . The A-B-C-cohomologies are introduced for dynamical systems on smooth manifolds. Received: 16 January 1996 / Accepted: 3 July 1996     

Description of Atom-Field Interaction via Quantized Caldirola-Kanai Hamiltonian

In this paper we outline an approach to the study of atom-field interacting systems, where the Hamiltonian of the field is simply inspired from the quantized Caldirola-Kanai Hamiltonian. As a simple physical realization of the model, the interaction between a two-level atom with such a single-mode field is studied. The explicit form of the atom-field entangled state associated with the considered system is analytically deduced and the dynamics of a few of its physical properties is numerically evaluated. To achieve the latter purposes, the temporal behavior of the degree of entanglement, atomic population inversion as well as sub-Poissonian statistics and quadrature squeezing of the field are evaluated. Moreover, the effects of the intensity of initial field and the damping parameter within the Caldirola-Kanai Hamiltonian on the above-mentioned criteria are investigated. As is shown, by adjusting the latter evolved parameters one can appropriately tune the discussed physical quantities.     

Nonintegrability of the classical Zeeman Hamiltonian

We prove that the HamiltonianH of the three dimensional hydrogen atom in a uniform static magnetic fieldB does not have an integral which (i) is real analytic on the phase space of the system; (ii) is in involution with the componentM ₃ of the angular momentum alongB; (iii) is functionally independent ofH andM ₃ and (iv) has a meromorphic (single-valued) extension to the complexification of in ⁶;. This follows from the fact that the HamiltonianK _M of two degrees of freedom obtained by fixingM ₃ at certain nonzero valuesM and reducingH w.r. to the rotational symmetry about the magnetic field, has a complexification which is nonintegrable in the Ziglin sense. We prove this nonintegrability by demonstrating that for each suchM the monodromy group of the normal variational equation along a certain complexified phase curve ofK _M is not Ziglin, using Churchill and Rod's adaptation of Kovacic's algorithm to the Ziglin analysis. Analogous arguments prove that the Hamiltonian of the Størmer problem is nonintegrable in the same sense.Supported by Contract #N00173-90-9706 from the Naval Research Laboratory and (consecutively) a summer faculty fellowship from the University of Toledo.Supported by a fellowship from the Max Planck Institute in Stuttgart.     

Method of Generating N-dimensional Isochronous Nonsingular Hamiltonian Systems

In this paper we develop a straightforward procedure to construct higher dimensional isochronous Hamiltonian systems. We first show that a class of singular Hamiltonian systems obtained through the Ω-modified procedure is equivalent to constrained Newtonian systems. Even though such systems admit isochronous oscillations, they are effectively one degree of freedom systems due to the constraints. Then we generalize the procedure in terms of Ω _i -modified Hamiltonians and identify suitable canonically conjugate coordinates such that the constructed Ω _i -modified Hamiltonian is nonsingular and the corresponding Newton's equation of motion is constraint free. The procedure is first illustrated for two dimensional systems and subsequently extended to N-dimensional systems. The general solution of these systems are obtained by integrating the underlying equations and is shown to admit isochronous as well as amplitude independent quasiperiodic solutions depending on the choice of parameters.     

An Ergodic Sampling Scheme for Constrained Hamiltonian Systems with Applications to Molecular Dynamics

This article addresses the problem of computing the Gibbs distribution of a Hamiltonian system that is subject to holonomic constraints. In doing so, we extend recent ideas of Cancès et al. (M2AN 41(2), 351–389, 2007) who could prove a Law of Large Numbers for unconstrained molecular systems with a separable Hamiltonian employing a discrete version of Hamilton’s principle. Studying ergodicity for constrained Hamiltonian systems, we specifically focus on the numerical discretization error: even if the continuous system is perfectly ergodic this property is typically not preserved by the numerical discretization. The discretization error is taken care of by means of a hybrid Monte-Carlo algorithm that allows for sampling bias-free expectation values with respect to the Gibbs measure independently of the (stable) step-size. We give a demonstration of the sampling algorithm by calculating the free energy profile of a small peptide.     

Boson fields with the :Φ4: Interaction in three dimensions

The :⁴: interaction for boson fields is considered in three dimensional space time. A space cutoff is included in the interaction term. The main result is that the renormalized HamiltonianH _ren is a densely defined symmetric operator. In addition to the infinite vacuum energy and infinite mass renormalizations, this theory has an infinite wave function renormalization. Consequently the Hilbert space (of physical particles) in whichH _ren acts is disjoint from the bare particle Fock Hilbert space in which the unrenormalized Hamiltonian is defined.This work was supported in part by the National Science Foundation, NSF GP 7477.     

The boundary condition integration technique: results for the Hubbard model in 1D and 2D

We study models of strongly correlated electrons in one-and two dimensions. We exactly diagonalize small clusters with general boundary conditions (BC) and integrate over all possible BC. This technique recovers the kinetic energy part of the (extended lattice) Hamiltonianexactly in a grand-canonical formulation. A continuous range of particle densities may be described with this technique and the momentum space can be probed for arbitrary momenta. For the Hubbard Hamiltonian we recover details of the Mott-insulating behaviour for the momentum distribution function at half filling, both in 1D and 2D. Off half-filling the shape of thecanonical Fermi surface is strongly distorted in 2D with respect to thegrand canonical Fermi surface. The shape of the grand canonical Fermi surface obtained by this finite-size technique reduces in the weak-coupling limit exactly to that of the infinite-lattice Fermi sea.email: UPH 301 at DDOHR Z11