Canonical methods for Hamiltonian systems: numerical experiments

A Hamiltonian system possesses dynamics (e.g. preservation of volume in phase space and symplectic structure) that call for special numerical integrators, namely canonical methods. Recent research on this aspect have shown that canonical numerical integrators may be needed for Hamiltonian systems. In this paper, we focus on numerical experiments that compare canonical and non-canonical numerical integrators. Test problems are taken from different areas in physical sciences. These experiments help to buttress the claims that canonical numerical integrators give results that mimic the qualitative behavior of the original system and that canonical numerical integrators are suitable for long time integrations. Our experiments indicate that higher-order canonical methods allow for larger timestep than lower-order canonical methods.     

The prediction of coal properties using compressed infrared data from osculating polynomials

Reduction of the representation of infrared spectra from coal samples by osculating polynomials of degree nine is discussed. The reduced representation contains polynomial coefficients of order zero to four. Mathematical models of the original spectra are obtained by linear combination of the coefficients. These compressed models are statistically correlated to coal properties, namely, volatile matter, fixed carbon, ash content, heating value, hydrogen, carbon, sulphur, nitrogen, and maximum vitrinite reflectance, and the results are compared with those previously obtained from second derivatives of the same spectra. The use of compressed data, while giving slightly better correlations for some of the properties, has the advantage of requiring less computational time.     

He-N2 radiofrequency discharge: Influence of N2 on discharge and afterglow

A diagnostic study q (energy transfer processes in a He-N₂ flowing discharge and afterglow has been performed in a radiofrequency-produced plasma cooled in a liquid nitrogen hath. Optical emission spectroscopy in the visible and infrared spectral range as well as Langrnuir probe diagnostics were used. The vibrational kinetics of CO injected in such an afterglow has been examined. It shows a slow cooling of the electrons in the afterglow regime. The electron kinetics responsible joy CO vibrahonal excitation is turned off when N₂ is added to the He discharge, while that for vibrationally excited N₂ molecules is turned on. The results are discussed on the basis of previous theorerical calculations and experiments on the He-N₂ system.     

Projector Quantum Monte Carlo without minus-sign problem

Quantum Monte Carlo techniques often suffer from the so-called minus-sign problem. This paper explores a possibility to circumvent this fundamental problem by combining the Projector Quantum Monte Carlo method with the variational principle. Results are presented for the two-dimensional Hubbard model.     

Group valued measures with the lyapunoff property

Dopo aver dato una definizione di parte convessa di un gruppo topologico, si stabilisce una condizione affinchè il condominio di una misura sia convesso.     

Topochemically Controlled Redox Reactions in the System In/Sn/Cl

The difference in reactivity of the two modifications of InCl in solid state reactions with SnCl₂ is discussed. It is explained on the basis of semi‐empirical and ab initio calculations giving the density of states diagrams of InCl and the energies of possible disproportionation reactions. Their general features are discussed on the basis of a simple bonding picture for open‐packed structures involving inert pair elements. A detailed analysis of the DOS distribution allows to pinpoint the observed redox instability to a specific structural feature of α‐InCl.     

KINETICS OF LUMINESCENCE QUENCHING IN MICELLAR ASSEMBLIES INCLUDING EXCHANGE OF PROBE and QUENCHER*

The luminescence decay of excited probes in micelles in the presence of a Poisson distribution of quenchers is considered under conditions where both probe and quencher within the lifetime of the excited probe may exchange between the micelles. Analytical and numerical results show that the luminescence decay can be expressed by a generalized self convolution product of a multiexponential decay function.