Decomposition Methods for Solving Nonconvex Quadratic Programs via Branch and Bound*

The aim of this paper is to suggest branch and bound schemes, based on a relaxation of the objective function, to solve nonconvex quadratic programs over a compact polyhedral feasible region. The various schemes are based on different d.c. decomposition methods applied to the quadratic objective function. To improve the tightness of the relaxations, we also suggest solving the relaxed problems with an algorithm based on the so called “optimal level solutions” parametrical approach. *This paper has been partially supported by M.I.U.R. and C.N.R.     

Standing Waves in the Lorentz-Covariant World

When Einstein formulated his special relativity, he developed his dynamics for point particles. Of course, many valiant efforts have been made to extend his relativity to rigid bodies, but this subject is forgotten in history. This is largely because of the emergence of quantum mechanics with wave-particle duality. Instead of Lorentz-boosting rigid bodies, we now boost waves and have to deal with Lorentz transformations of waves. We now have some nderstanding of plane waves or running waves in the covariant picture, but we do not yet have a clear picture of standing waves. In this report, we show that there is one set of standing waves which can be Lorentz-transformed while being consistent with all physical principle of quantum mechanics and relativity. It is possible to construct a representation of the Poincaré group using harmonic oscillator wave functions satisfying space-time boundary conditions. This set of wave functions is capable of explaining the quantum bound state for both slow and fast hadrons. In particular it can explain the quark model for hadrons at rest, and Feynman’s parton model hadrons moving with a speed close to that of light.     

On forming the Romberg table

Romberg-type extrapolation is commonly used in many areas of numerical computation. An algorithm is presented for forming the Romberg table for general step-length sequence and general powers in the asymptotic expansion. It is then shown that parameters of the algorithm can be used to gain an a priori bound on propagation of rounding errors in the table.     

Three‐body molecular states of the system in the Born–Oppenheimer approximation

In this work, we present a quantum mechanical treatment of the three‐body molecular system in the Born–Oppenheimer (BO) approximation, were the nuclei dynamics is evaluated over the potential energy surfaces (PES) induced by the electronic states. The PES corresponding to the two lowest electronic levels are the ones described by Martinazzo et al. (Chem. Phys. 2003, 287, 335), and are used to write the three‐body Schrdinger equation of the three atomic system. We use the generalized Sturmian functions method to expand the wave functions in each (distinguishable) pair of relative coordinates or Jacobi pairs, and analyze the convergence differences between the series. A partial‐wave decomposition of the potential is proposed to simplify the Hamiltonian matrix element calculation. Bound states are considered for the ground and first excited electronic PES, the spreading of energies after sudden electronic transitions studied, and the break‐up probability induced by the sudden change of the PES evidenced.     

Sharp Error Bounds for Asymptotic Expansions of the Distribution Functions for Scale Mixtures

Let Z be a random variable with the distribution function G(x) and let s be a positive random variable independent of Z. The distribution function F(x) of the scale mixture X = sZ is expanded around G(x) and the difference between F(x) and its expansion is evaluated in terms of a quantity depending only on G and the moments of the powers of the variable of the form s/gr - 1, where (> 0) and (= ±1) are parameters indicating the types of expansion. For = -1, the bound is sharp under some extra conditions. Sharp bounds for errors of the approximations of the scale mixture of the standard normal and some gamma distributions are given either by analysis ( = -1) or by numerical computation ( = 1).     

Global Optimization Techniques for Solving the General Quadratic Integer Programming Problem

We consider the problem of minimizing a general quadratic function over a polytope in the n-dimensional space with integrality restrictions on all of the variables. (This class of problems contains, e.g., the quadratic 0-1 program as a special case.) A finite branch and bound algorithm is established, in which the branching procedure is the so-called integral rectangular partition, and the bound estimation is performed by solving a concave programming problem with a special structure. Three methods for solving this special concave program are proposed.     

Generating Random Elements in SL n (F q ) by Random Transvections

This paper studies a random walk based on random transvections in SL _n(F _q ) and shows that, given > 0, there is a constant c such that after n + c steps the walk is within a distance from uniform and that after n – c steps the walk is a distance at least 1 – from uniform. This paper uses results of Diaconis and Shahshahani to get the upper bound, uses results of Rudvalis to get the lower bound, and briefly considers some other random walks on SL _n(F _q ) to compare them with random transvections.     

Equivalence of Two Lower Bound Methods

Two lower bound methods are compared: the inverse method and a generalized variance method. As the generalized variance method is a generalization of the simple method of variance, the inverse method is shown to be a generalization of the Temple formula. We show that for the same a priori information and basis set, the generalized variance and inverse methods are equivalent.     

Exoemission and catalytic activity of oxides with perovskite and spinel structures in the oxidation of CO and hydrocarbons

Low-temperature (20—400 °C) exoemission of negative charges from mixed oxides having the perovskite structure M¹M²O₃ (M¹ = La; M² = Co, Mn, Ni) or the spinel structure M¹M² ₂O₄ (M¹ = Cu; M² = Fe, Co, Cr) was studied. The relationship between the catalytic activity in CO, ethylbenzene, and propylene oxidation and the emissivity of the oxides was elucidated. The role of weakly bound oxygen and variable-valence ions in the exoemission and redox catalysis by mixed oxides is discussed.