Why define atoms in real space?

The physics of a system is determined by a variation of the action integral, i.e., by a variation of the space–time volume integral of the Lagrange function. If one demands that the properties of an atom in a molecule be derived from physics, the atom must generate its own space–time volume, requiring that its boundaries be defined in real space. The variations in the action are related to the actions of generators of infinitesimal unitary transformations. In the general case, the action integral is altered by generators acting in both the spacelike and timelike surface bounding the space–time volume, whereas for a total isolated system, the physics is totally determined by their action in just the spacelike surfaces at the two time endpoints. It is shown and illustrated for a one-dimensional system that the definition of an atom corresponds to the possibility of choosing a subsystem in such a way that the contributions to the change in action resulting from the evolution in time of its spatial boundaries vanishes identically. The properties of these subsystems and of the total system of which they are a part are, therefore, determined by one and the same action principle. This choice of subsystem corresponds to the possibility of augmenting the Lagrange function by the divergence of the gradient of the electron density a step that, while leaving the equations of motion unchanged, modifies the generating operators in the required manner. © 1994 John Wiley & Sons, Inc.     

Investigations of Solid State Dynamics at the NRSSR Beamline at PETRA II. An Overview

The present status of the new nuclear resonance beamline PETRA 1 at HASYLAB, DESY, Hamburg is described. Besides an overview of the experimental setup some examples of recent experiments are given. Those cover the main applications, i.e., inelastic scattering from iron alloys and quasielastic scattering from glass-forming liquids. This revised version was published online in August 2006 with corrections to the Cover Date.     

Schwefeleisen als L?throhrreagens

Ohne Zusammenfassung     

On the Zeros of Orthogonal Polynomials: The Elliptic Case

Constructive Approximation - Let E = [–1, α] \cup [β, 1], –1 &;lt; α &;lt; β &;lt; 1, and let (pn) be orthogonal on E with respect to the weight function...     

Moderate Deviations for Longest Increasing Subsequences: The Lower Tail

We derive a moderate deviation principle for the lower tail probabilities of the length of a longest increasing subsequence in a random permutation. It refers to the regime between the lower tail large deviation regime and the central limit regime. The present article together with the upper tail moderate deviation principle in Ref. 12 yields a complete picture for the whole moderate deviation regime. Other than in Ref. 12, we can directly apply estimates by Baik, Deift, and Johansson, who obtained a (non-standard) Central Limit Theorem for the same quantity.