On the many-time formulation of classical particle dynamics

Starting from the standard one-time dynamics of n nonrelativistic particles, the n-time equations of motion are inferred, and a variational principle is formulated. A suitable generalization of the classical LieKnig theorem is demonstrated, which allows the determination of all the associated presymplectic structures. The conditions under which the action of an invariance group is canonical are studied, and a corresponding Noether theorem is deduced. A formulation of the theory in terms of n first-class constraints is recovered by means of coisotropic imbeddings. The proposed approach also provides for a better understanding of the relativistic particle dynamics, since it shows that the different roles of the physical positions and the canonical variables is not peculiar to special relativity, but rather to any n-time approach: indeed a nonrelativistic no-interaction theorem is deduced.

Higher order Lagrangian systems: Geometric structures, Dynamics, and Constraints

In order to study the connections between Lagrangian and Hamiltonian formalisms constructed from aperhaps singularhigher-order Lagrangian, some geometric structures are constructed. Intermediate spaces between those of Lagrangian and Hamiltonian formalisms, partial Ostrogradskiis transformations and unambiguous evolution operators connecting these spaces are intrinsically defined, and some of their properties studied. Equations of motion, constraints, and arbitrary functions of Lagrangian and Hamiltonian formalisms are thoroughly studied. In particular, all the Lagrangian constraints are obtained from the Hamiltonian ones. Once the gauge transformations are taken into account, the true number of degrees of freedom is obtained, both in the Lagrangian and Hamiltonian formalisms, and also in all the intermediate formalisms herein defined.

Dirac and reduced quantization: A Lagrangian approach and Application to Coset Spaces

A Lagrangian treatment of the quantization of first class Hamiltonian systems with constraints and Hamiltonian linear and quadratic in the momenta, respectively, is performed. The first reduce and then quantize and the first quantize and then reduce (Diracs) methods are compared. A source of ambiguities in this latter approach is pointed out and its relevance on issues concerning self-consistency and equivalence with the first reduce method is emphasized. One of the main results is the relation between the propagator obtained la Dirac and the propagator in the full space. As an application of the formalism developed, quantization on coset spaces of compact Lie groups is presented. In this case it is shown that a natural selection of a Dirac quantization allows for full self-consistency and equivalence. Finally, the specific case of the propagator on a two-dimensional sphere S2 viewed as the coset space SU(2)/U(1) is worked out. 1995 American Institute of Physics.

Lattice-gas model of orientable molecules: Application to liquid crystals

We have analyzed a two-dimensional lattice-gas model of cylindrical molecules which can exhibit four possible orientations. The Hamiltonian of the model contains positional and orientational energy interaction terms. The ground state of the model has been investigated on the basis of Karl¿s theorem. Monte Carlo simulation results have confirmed the predicted ground state. The model is able to reproduce, with appropriate values of the Hamiltonian parameters, both, a smectic-nematic-like transition and a nematic-isotropic-like transition. We have also analyzed the phase diagram of the system by mean-field techniques and Monte Carlo simulations. Mean-field calculations agree well qualitatively with Monte Carlo results but overestimate transition temperatures.

Exact lower bounds to the ground-state energy of spin systems: The two-dimensional S=1/2 antiferromagnetic Heisenberg model

We present a very simple but fairly unknown method to obtain exact lower bounds to the ground-state energy of any Hamiltonian that can be partitioned into a sum of sub-Hamiltonians. The technique is applied, in particular, to the two-dimensional spin-1/2 antiferromagnetic Heisenberg model. Reasonably good results are easily obtained and the extension of the method to other systems is straightforward.

Quadratic tranverse anisotropy term due to dislocations in Mn12 acetate crystals directly observed by EPR spectroscopy

High-sensitivity electron paramagnetic resonance experiments have been carried out in fresh and stressed Mn12 acetate single crystals for frequencies ranging from 40 GHz up to 110 GHz. The high number of crystal dislocations formed in the stressing process introduces a E(Sx2-Sy2) transverse anisotropy term in the spin Hamiltonian. From the behavior of the resonant absorptions on the applied transverse magnetic field we have obtained an average value for E=22 mK, corresponding to a concentration of dislocations per unit cell of c=10-3.

Magnetic structure of Li2CuO2: From ab initio calculations to macroscopic simulations

The magnetic structure of the edge-sharing cuprate compound Li2CuO2 has been investigated with highly correlated ab initio electronic structure calculations. The first- and second-neighbor in-chain magnetic interactions are calculated to be 142 and -22 K, respectively. The ratio between the two parameters is smaller than suggested previously in the literature. The interchain interactions are antiferromagnetic in nature and of the order of a few K only. Monte Carlo simulations using the ab initio parameters to define the spin model Hamiltonian result in a Nel temperature in good agreement with experiment. Spin population analysis situates the magnetic moment on the copper and oxygen ions between the completely localized picture derived from experiment and the more delocalized picture based on local-density calculations.

World-line condition and the noninteraction theorem

A 6N-dimensional alternative formulation is proposed for constrained Hamiltonian systems. In this context the noninteraction theorem is derived from the world-line conditions. A model of two interacting particles is exhibited where physical coordinates are canonical.

Interaccion among systems of finite size in predictive relativistic mechanics I. General framework

We derive a Hamiltonian formulation for the three-dimensional formalism of predictive relativistic mechanics. This Hamiltonian structure is used to derive a set of dynamical equations describing the interaction among systems in perturbation theory.

Towards and ab initio description of magnetism in ionic solids

The physical contributions to the KNiF3 magnetic exchange coupling integral have been obtained from specially designed ab initio cluster model calculations. Three important mechanisms have been identified. These are the delocalization of the magnetic orbitals into the anion p band, the variational contribution of the second-order interactions, and the many-body terms hidden in the two-body operator and the Heisenberg Hamiltonian.

Continuous phase transition in a spin-glass model without time-reversal symmetry

We investigate the phase transition in a strongly disordered short-range three-spin interaction model characterized by the absence of time-reversal symmetry in the Hamiltonian. In the mean-field limit the model is well described by the Adam-Gibbs-DiMarzio scenario for the glass transition; however, in the short-range case this picture turns out to be modified. The model presents a finite temperature continuous phase transition characterized by a divergent spin-glass susceptibility and a negative specific-heat exponent. We expect the nature of the transition in this three-spin model to be the same as the transition in the Edwards-Anderson model in a magnetic field, with the advantage that the strong crossover effects present in the latter case are absent.

Realizations of Poincar group induced by second order differential systems. Non interaction theorem

A generalization of the predictive relativistic mechanics is studied where the initial conditions are taken on a general hypersurface of M4. The induced realizations of the Poincar group are obtained. The same procedure is used for the Galileo group. Noninteraction theorems are derived for both groups.

Generalized adiabatic invariance

In this paper we find the quantities that are adiabatic invariants of any desired order for a general slowly time-dependent Hamiltonian. In a preceding paper, we chose a quantity that was initially an adiabatic invariant to first order, and sought the conditions to be imposed upon the Hamiltonian so that the quantum mechanical adiabatic theorem would be valid to mth order. [We found that this occurs when the first (m - 1) time derivatives of the Hamiltonian at the initial and final time instants are equal to zero.] Here we look for a quantity that is an adiabatic invariant to mth order for any Hamiltonian that changes slowly in time, and that does not fulfill any special condition (its first time derivatives are not zero initially and finally).

Front form and point form formulation in P.R.M. noninteractions theorems

The front form and the point form of dynamics are studied in the framework of predictive relativistic mechanics. The non-interaction theorem is proved when a Poincar-invariant Hamiltonian formulation with canonical position coordinates is required.

On the spinning axis representation

A new spinning axis representation is introduced. It allows us to calculate the evolution operator of a system with slowly varying time dependent Hamiltonian with the desired degree of approximation in the parameter used for describing its dynamical evolution. The procedure is compared with a previously existing one and applied to a simple example.