Orbitals that minimize the variance

A MCSCF-method for minimization of the variance yielding an optimal basisset of variance minimizing orbitals in analogy to Löwdin's natural orbitals for minimal energy is developed.     

Synthesis, X-ray diffraction study, and ionic conductivity of new AB2O6 pyrochlores

The oxides A(Ti_0.5Te_1.5)O₆ (A = K, Rb, Cs, Tl), A(Ti_0.5W_1.5)O₆ (A = Rb, Cs, Tl), and Cs(B_0.5W_1.5)O₆ (B = Zr, Hf) have been obtained as polycrystalline powders giving X-ray diffraction patterns characteristic of defect cubic pyrochlores, space group (No. 227), Z = 8. The best discrepancy R factors, from 0.0265 for Rb(Ti_0.5Te_1.5)O₆ to 0.0554 for Cs(Zr_0.5W_1.5)O₆, were obtained for the B cations randomly distributed at 16(d), A ions at one quarter of 32(e), and oxygen atoms at 48(f) positions. A linear relationship is observed between the a unit cell parameters and the ionic radii of the A cations, as well as the average ionic radii of the B atoms. The results of electrical resistivity measurements for A(Ti_0.5Te_1.5)O₆ (A = K, Rb, Cs, Tl) are given.     

Determination of trace elements in Brazilian rice grains and in biological reference materials by neutron activation analysis

Instrumental neutron activation analysis was applied to the determination of the elements Na, K, Br, As, Rb, Zn, Co, Fe and Sc in Brazilian rice samples and in biological standards. Hg and Se concentrations were determined by using a simple radiochemical separation. The chemical procedure was carried out by means of distillation of Hg and Se in HBr medium and subsequent precipitation of selenium by sodium metabisulfite and mercury by thioacetamide. The accuracy of the instrumental and radiochemical methods was evaluated by means of analysis of the Reference Materials NBS-Bovine Liver, Bowen's Kale and NBS-Rice Flour.     

Combined supercritical-fluid chromatography/mass spectrometry in the analysis of diuron in plasma using on-line phase-system switching

On-line sample pretreatment by means of the phase-system switching approach is an interesting technique for the analysis of aqueous samples, e.g., plasma, by means of supercritical-fluid chromatography. In order to analyse plasma samples the following analytical procedure is used. The plasma sample is injected on to a short precolumn, which is washed with water and subsequently dried with nitrogen. Next, the solutes are desorbed with the supercritical mobile phase, analysed with packed-column supercritical-fluid chromatography and detected with either a UV detector or a mass spectrometer, equipped with a moving-belt interface. The herbicide diuron is selected as a test compound to study the feasibility of this approach. Using a selective detector the procedure is sufficiently sensitive to detect diuron in plasma, but not appropriate to detect the diuron metabolites in a post-mortem plasma sample. These have been identified with liquid chromatography/mass spectrometry. The detection limit of diuron in plasma using the procedure described is about 30 ng/mL.     

Control of small phase arrays to form a prescribed amplitude-phase distribution

Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Radiofizika, Vol. 32, No. 9, pp. 1132–1136, September, 1989.     

Anomalies of ultrasonic velocity in high-Tc ceramics YBa2Cu3Oy and BiSrCaCu2Oy

Ultrasonic longitudinal velocity and adsorption have been measured in ceramic superconductors YBa₂Cu₃O_y with various porosity and also in BiSrCaCu₂O_y. A velocity drop of about 400 ppm was found at T_c only in the measurements on cooling. The magnitude of the velocity drop is anomalously large compared with the value expected from the thermodynamics. A hysteresis of velocity with respect to temperature was observed in all the samples studied. It is suggested that some structural change at pore size level is responsible for this phenomenon.     

GaAs traveling-wave optical modulator using a modulated coplanar strip electrode with periodic cross-tie overlay

This paper proposes and analyzes a GaAs traveling-wave optical modulator which uses a modulated coplanar strip electrode with periodic cross-tie overlay. This slow-wave structure can be designed to satisfy phase velocity and impedance matching conditions simultaneously. The dominant conductor loss in the slow-wave structure is reduced using the modulated coplanar strip electrode. The calculated 3-dB modulation bandwidth (100 GHz) is much wider than the bandwidth limit (30 GHz) of conventional electrode structures that are limited by phase velocity mismatch.This work was supported by the U.S. Army Research Office under contract DAAL-03-88-K-0005 and the Texas Advanced Technology Program.