Density functionals for exchange and correlation energies: Exact conditions and comparison of approximations

A set of exact conditions is compiled for the purpose of developing and testing approximations for the exchange-correlation energy as a functional of the electron density. Special emphasis is placed upon recently developed density-scaling relationships. Commonly used generalized gradient approximations are compared against several of these conditions. A direct tabular comparison of these functionals (not of calculated properties) with one another is also made. © 1994 John Wiley & Sons, Inc.     

The lead tetraacetate oxidation of bisacylhydrazones of α-diketones: A scope re-assesment

Oxidation of the title compounds yields, besides the reported isoimides 3 and/or the amides 4 , also the imides 5 . The observed product dichotomy is considered as the result of an intramolecular nucleophilic attack on the aroyl group, of the pressumed zwitterionic intermediate 2 , by O or N present in the ambident N-aroylimine site of 2 . The results of AM1 calculations agree with the product studies and both permit the formulation of a set of rules correlating structure and selectivity.     

A new hybrid active power filter (APF) topology

In this paper, a new hybrid active power filter topology is presented. A higher-voltage, low-switching frequency insulated gate bipolar transistor (IGBT) inverter and a lower-voltage high-switching frequency metal oxide semiconductor field effect transistor (MOSFET) inverter are used in combination to achieve harmonic current compensation. The function of the IGBT inverter is to support utility fundamental voltage and to compensate for the fundamental reactive power. The MOSFET inverter fulfills the function of harmonic current compensation. To further reduce cost and to simplify control, the IGBT and MOSFET inverters share the same DC-link via a split capacitor bank. With this approach harmonics can be cancelled over a wide frequency range. Compared to the conventional APF topology, the proposed approach employs lower dc-link voltage and generates less noise. Simulation and experimental results show that the proposed active power filter topology is capable of compensating for the load harmonics     

Characterization method of thermomechanical parameters for microelectronic materials

Reliability of thermomechanical simulations is critically linked to the accuracy of the mechanical properties that govern the behaviour of structure, like Young's modulus (E) and coefficient of thermal expansion (CTE). For many cases, the values found in literatures are dealing with bulk properties without detailed information on temperature effects. To address such issues, it is necessary to measure the materials parameters as a function of temperature. The measurement of CTE is usually accomplished by evaluating the thermal deflections of a subjected material layer deposited on a substrate, providing that E is known at a specific temperature of experiment. A bilayer method, based on theory of elasticity, is proposed to determine both E and CTE for a given temperature with a good resolution. This paper presents the theoretical analysis, the design and process of the microsystem test structures, and the main calculation results.     

Estimation of multivariate binary density using orthogonal functions

In this paper, the authors studied certain properties of the estimate of Liang and Krishnaiah (1985, J. Multivariate Anal. 16, 162–172) for multivariate binary density. An alternative shrinkage estimate is also obtained. The above results are generalized to general orthonormal systems.     

Existence and Stability for Spherical Crystals Growing in a Supersaturated Solution

We consider the growth of a spherical crystal in a supersaturatedsolution. In the first part, existence and uniqueness resultsfor radially symmetric growth are obtained, provided that thesupersaturation is not too large; conversely, when the far-fieldsupersaturation exceeds a critical value, it is shown that theradially symmetric solution ceases to exist in finite time.In the second part, we examine the linear stability of a radiallysymmetric similarity solution (in which the radius grows ast?) to shape perturbations. The results are compared with previousquasi-static analyses, and, in particular, the critical radiusat which the crystal becomes unstable is found to be largerfor small supersaturations, but smaller for large supersaturations,than those predicted by the quasi-static analysis     

Linewidth and FM characteristics of a distributed feedback laser monolithically integrated with a tunable external cavity

A narrow linewidth has been obtained in a new 1.5 ?m distributed feedback laser integrated monolithically with a tunable external cavity. The linewidth of 18 MHz has been achieved by tuning the current in the external cavity, and the FM response was flat from 100 kHz to 500 MHz.