Absolute line intensities of CO2 in the 3090-3920 cm region

Absolute line intensities of ¹³C¹⁶O₂ were retrieved from high-resolution Fourier transform spectra recorded in the region 3090-3920 cm⁻¹. The uncertainty of the line intensity determination is estimated to be between 3 and 5% for the strong lines. The global fittings of the observed line intensities within the framework of the effective operators approach have been performed, reaching the experimental accuracy. A comparison of newly measured line intensities with those found in the HITRAN database is presented.     

Computation of critical exponents for two-dimensional ising model on a cellular automaton

Static critical exponents for the two-dimensional Ising model are computed on a cellular automaton. The analysis of the data within the framework of the finite-size scaling theory reproduces their well-established values.     

High-field high-speed MAS resolution enhancement in 1H NMR spectroscopy of solids

Resolution in ¹H NMR spectra of solids can be significantly enhanced with fast magic-angle spinning and high magnetic fields. A variable field and spinning speed study up to 25 T and 40 kHz shows that the homogeneous line broadening is inversely proportional to the product of magnetic field strength and spinning speed. The combination of high field and fast speed yields a ¹H linewidth approaching the intrinsic limit determined by anisotropy of magnetic susceptibility. An analysis of the anisotropic magnetic susceptibility line broadening is presented.     

On Modeling of the Spectral Line Shape of Heavy Neutral Nonhydrogen-Like Emitters

A method of simulating the contour of the asymmetric spectral lines of neutral nonhydrogen-like atoms in a plasma is suggested. The methods of nonlinear regression are used to approximate the experimental data by a model function. The method has been checked on the spectral lines emitted by the electric arc stabilized by the walls. The method makes it possible to evaluate the Stark parameters directly from the experimentally obtained shapes of isolated or overlapping spectral lines.     

Monte carlo calculations of the conformal charge

The conformal charge is an important quantity which characterizes the nature of the two-dimensional phase transition. We report a first attempt to use a new numerical method to calculate the conformal charge. In this paper, we apply our method to the 2-dimensional, ⁴, continuous-spin Ising model. By varying the parameters in the Hamiltonian, one can change continuously from the known Gaussian limit to the Ising limit. It is well known that the critical points for these two systems are not in the same universality class. We study this behavior for the Gaussian model, the single-well ⁴ model, the border model, and the double-well ⁴ model for a large lattice. Our results, while giving a good general picture, are not so far sufficient to differentiate whether the non-Gaussian cases studied belong to the Ising model universality class or not. Further studies of other lattice sizes should serve to improve greatly our conclusions.     

Derivation of a new class of distributions for the microcanonical ensemble

A new class of distributions for the microcanonical ensemble, which are shown to be stable laws, are derived by applying the central limit theorem to the canonical ensemble. This opens up a whole new host of phenomena that can be treated from a unified thermodynamic point of view. Pressure broadening of line shapes is used as an illustration.1. Work supported, in part, by contributions from the Consiglio Nazionale di Ricerche and the Ministero dell'Università e della Ricerca Scientifica e Tecnologica.2. The interaction parameterC is proportional to the mean square dipole moment. As an order of magnitude of the dipole moment, we can take it as the product of the electric charge and a typical atomic radius for a moderately excited state, which is several times the Bohr radius. Multiplication by the fine structure constant converts the Bohr radius into the Compton wavelength, thereby reducing the magnitude of the interaction by 1/137.     

Dihydrogen bond in C2H4− n Cl n ··· NaH (n = 0, 1, 2, 3) complexes: ab initio,AIM and NBO studies

The dihydrogen-bonded complexes of ethylene and its chlorine derivatives with sodium hydride have been systematically investigated at the MP2/6-311++G(d,p) level. The studied complexes are divided into three groups (including Linear, Five- and Six-membered cyclic structures) based on the optimized structures. The structural, energetic and topological parameters are presented and analysed in terms of their possible correlation with the interaction energies and the intermolecular H?···?H distances. The nature of the electrostatic interaction in this type of dihydrogen bond has also been unveiled by means of atoms in molecules (AIM) and natural bond orbital (NBO) analysis. The effect of ring structure on the dihydrogen bonding systems has been considered by comparing with the corresponding linear structure. NBO analysis suggests that the electron density transfer (EDT) in cyclic structures have dual-channel character.     

Investigation of Hyperfine Interactions in CeIn3 byTDPAC

Magnetic hyperfine fields (mhf) at ¹¹¹Cd and ¹⁴⁰Ce nuclei, dilutely substituting the In and Ce sites, respectively, have been measured in the intermetallic compound CeIn₃ using perturbed angular correlation technique. A pure electric quadrupole interaction with an axially symmetric electric field gradient was observed at ¹¹¹In(EC)¹¹¹Cd probe nuclei at room temperature while a combined magnetic dipole and electric quadrupole interaction is observed below 10K. Below the ordering temperature, only a magnetic interaction is observed at ¹⁴⁰La(^–)¹⁴⁰Ce probe. The values of mhf measured experimentally as a function of temperature are discussed in terms of critical behavior.     

Phase diagram of the 3D bimodal random-field Ising model

The one-parametric Wang-Landau (WL) method is implemented together with an extrapolation scheme to yield approximations of the two-dimensional (exchange-energy, field-energy) density of states (DOS) of the 3D bimodal random-field Ising model (RFIM). The present approach generalizes our earlier WL implementations, by handling the final stage of the WL process as an entropic sampling scheme, appropriate for the recording of the required two-parametric histograms. We test the accuracy of the proposed extrapolation scheme and then apply it to study the size-shift behavior of the phase diagram of the 3D bimodal RFIM. We present a finite-size converging approach and a well-behaved sequence of estimates for the critical disorder strength. Their asymptotic shift-behavior yields the critical disorder strength and the associated correlation length's exponent, in agreement with previous estimates from ground-state studies of the model.     

Hierarchical ferromagnetic vector spin model possessing the Lee-Yang property. Thermodynamic limit at the critical point and above

The hierarchical ferromagneticN-dimensional vector spin model as a sequence of probability measures onR ^N is considered. The starting element of this sequence is chosen to belong to the Lee-Yang class of measures that is defined in the paper and includes most known examples (⁴ measures, Gaussian measures, and so on). For this model, we probe two thermodynamic limit theorems. One of them is just the classical central limit theorem for weakly dependent random vectors. It describes the convergence of classically normed sums of spins when temperature is sufficiently high. The other theorem describes the convergence of more than normally normed sums that holds for some fixed temperature. It corresponds to the strong dependence of spins, which appears at the critical point of the model.