Energy levels of small titanium oxide clusters obtained from SCF calculations

The energy levels of small titanium oxide clusters [(TiO₂)₂, and (TiO₂H)₃, and (TiO₂H)₂] have been calculated using ab initio SCF methods. Both crystal and relaxed geometries have been considered. Systematic changes in the valencelevel structure resulting from geometry relaxation are found, which may be related to band-gap changes experimentally observed for small titanium oxide particles. In addition, a Ti? OH local surface state is found to be well described within a limited cluster model. © 1994 John Wiley & Sons, Inc.     

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.     

Exfoliation of Coatings from Silicon Crystals Electroless-Plated with Nickel and Electroplated with Gold

The microhardness and content of carbon in electroplated gold coatings were studied as influenced by the operation time of citrate and citrate-phosphate gold-plating electrolytes. Such physicomechanical properties as porosity, microhardness, internal stress, plasticity, and microstructure of electroless-plated and electroplated nickel coatings were studied and analyzed.     

An Inverse Problem for a Model of a Hierarchical Structure

We consider the inverse problem for the identification of the coefficient in a parabolic equation. The model is applied to describe the functioning of a hierarchical structure [1]; it is also relevant for heat-conduction theory [2]. Unique solvability of the inverse problem is proved.     

Boundary-value problem for the nonlinear Schrödinger equation

A mixed boundary-value problem for the nonlinear Schrödinger equation and its generalization is studied by the method used for the inverse scattering problem. A connection is established between conservation laws and boundary conditions in integrable boundary-value problems for higher nonlinear Schrödinger equations. It is shown that the generalized boundary-value problem requires a joint consideration of regular and singular solutions for the nonlinear Schrödinger equation with repulsion.Translated from Zapiski Nauchnykh Seminarov Leningradskogo Otdeleniya Matematicheskogo Instituta im. V. A. Steklova AN SSSR, Vol. 169, pp. 151–165, 1988.     

On decomposition of continuity

Summary The main purpose of this paper is to introduce the concepts of η-sets, ηζ-sets,η-continuity and ηζ-continuity and to obtain a decomposition of continuity.