129Xe NMR study of the homogeneity and the size distribution of small sodium metal particles in NaY zeolite

NaY zeolite samples loaded with sodium metal by vapor phase deposition have been investigated using¹²⁹Xe NMR spectroscopy. At low sodium concentration, the¹²⁹Xe NMR spectrum showed three resonance lines which clearly indicate the existence of distinct domains in the zeolite sample. Such an observation suggests that the diffusion of the xenon atoms into each domain only occurs with respect to the NMR time scale (2.9 ms). As the sodium concentration increases, observation of a single broad line indicate a macroscopic homogenization of the system. The shift of this line is explained in part due to a paramagnetic interaction between the xenon atoms and the unpaired electrons of particles containing an odd number of sodium atoms. The linewidth is due to the distribution of the local magnetic fields partially averaged by the rapid motion of the xenon atoms and to the statistical distribution of the sodium particles in the supercage cavities. The paramagnetic interaction vanishes with the oxidation of the sample leading to a narrowing and a shift of the line to higher magnetic fields.     

Theory of relaxed density matrices: Application to second-order response properties

The evaluation of second derivatives of the electronic energy for nonvariational wave functions using an energy functional is discussed. It is shown that, in certain cases, the formation of the first-order relaxed density matrix leads to an efficient algorithm for the calculation of second-order response properties. Detailed formulas are given for second-order Møller–Plesset perturbation theory. © 1994 John Wiley & Sons, Inc.     

AGE method simulations of a turbulent far‐wake compared to spectral DNS

Turbulent flow simulation methods based on finite differences are attractive for their simplicity, flexibility and efficiency, but not always for accuracy or stability. This paper demonstrates that a good compromise is possible with the advected grid explicit (AGE) method. Starting from the same initial field as a previous spectral DNS, AGE method simulations of a planar turbulent wake were carried out as DNS, and then at three levels of reduced resolution. The latter cases were in a sense large‐eddy simulations (LES), although no specific sub‐grid‐scale model was used. Results for the two DNS methods, including variances and power spectra, were very similar, but the AGE simulation required much less computational effort. Small‐scale information was lost in the reduced resolution runs, but large‐scale mean and instantaneous properties were reproduced quite well, with further large reductions in computational effort. Quality of results becomes more sensitive to the value chosen for one of the AGE method parameters as resolution is reduced, from which it is inferred that the numerical stability procedure controlled by the parameter is acting in part as a sub‐grid‐scale model. Copyright © 2002 John Wiley & Sons, Ltd.     

Observation of dielectronic satellites in the K-spectrum of argon ions in plasma produced by femtosecond laser pulses

The satellite structure of 1s2p ^1,3 P ₁-1s ²¹ S ₀ lines of the He-like argon ion in plasma produced by a 45-fs laser pulse in a gas-jet cluster target is measured with a high spectral resolution. Radiation transitions 2p → 1s from autoionizing states (AISs) are detected for ions ranging from Li-like to F-like. The spectrum observed is theoretically simulated with the use of the spectroscopic data for the AISs of multicharged ions obtained within the multiconfiguration relativistic Hartree-Fock method. Good agreement with experimental data is obtained when the main population channels of these states are taken into account for typical values of cluster-target plasma parameters.     

Syntactic characterization of closure under connected limits

Summary We give a syntactic characterization of (finitary) theories whose categories of models are closed under the formation of connected limits (respectively the formation of pullbacks and substructures) in the category of all structures. They are also those theories whose consistent extensions by new atomic facts admit in each component an initial structure (respectively an initial term structure), and also thoseT for whichM(T) is locally finitely multi-presentable in a canonical way. We also show that these two properties of theories are nonuniform.     

Une formule de Landau–Zener pour un croisement non dégénéré et involutif de codimension 3Landau–Zener formula for non-degenerate involutive codimension 3 crossings

In this Note, we study a 2×2 system of evolution equations with some codimension 3 crossing. We derive two conditions of non-degeneracy. We focus on one of them and reduce our system to some Landau–Zener's type system. Using this reduction, we describe the energy transfer at the crossing by Landau–Zener formula for 2-scales semi-classical measures. To cite this article: C. Fermanian Kammerer, P. Gérard, C. R. Acad. Sci. Paris, Ser. I 335 (2002) 915–920.