AUTOMATIC TEST GENERATION BASED ON CONSTRAINTS

It seems to be a very hard task to enhance the properties of widespreadly used automatic test pattern generation algorithms. Experiences show that achievements are sometimes not worth the effort. In the authors' opinion this fact stems from the basically 'algorithm oriented' nature of research made in the past. A new experimental framework is presented for the problem, considering network representation and search control algorithms as equally important parts. The network is represented by object- oriented data-flow networks, the search control algorithm is based on constraint satisfaction, and a special kind of dependency directed backtracking which we call constraint slackening. Similar methods were proved to be very useful in automatic system diagnosis by DAVIS (1985) and others, although have not been introduced to testing yet. This paper summarises the basic notions of constraint satisfaction, the potential advantages of using it for building test generation systems, and shows implementational details of a test generation system, based on constraints. Experiences of the run-time tests show that constraint-based test generation can be highly efficient

The polymer phase of the TDAE-C60_{60} organic ferromagnet

The high-pressure Electron Spin Resonance (ESR) measurements were preformed on TDAE-C$_{60}$ single crystals and stability of the polymeric phase was established in the $P - T$ parameter space. At 7 kbar the system undergoes a ferromagnetic to paramagnetic phase transition due to the pressure-induced polymerization. The polymeric phase remains stable after the pressure release. The depolymerization of the pressure-induced phase was observed at the temperature of 520 K. Below room temperature, the polymeric phase behaves as a simple Curie-type insulator with one unpaired electron spin per chemical formula. The TDAE$^+$ donor-related unpaired electron spins, formerly ESR-silent, become active above the temperature of 320 K and the Curie-Weiss behavior is re-established.Comment: Submitted to Phys. Rev.

Cancer metastasis networks and the prediction of progression patterns

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New Strategies in Modeling Electronic Structures and Properties with Applications to Actinides

This chapter discusses contemporary quantum chemical methods and provides general insights into modern electronic structure theory with a focus on heavy-element-containing compounds. We first give a short overview of relativistic Hamiltonians that are frequently applied to account for relativistic effects. Then, we scrutinize various quantum chemistry methods that approximate the $N$-electron wave function. In this respect, we will review the most popular single- and multi-reference approaches that have been developed to model the multi-reference nature of heavy element compounds and their ground- and excited-state electronic structures. Specifically, we introduce various flavors of post-Hartree--Fock methods and optimization schemes like the complete active space self-consistent field method, the configuration interaction approach, the Fock-space coupled cluster model, the pair-coupled cluster doubles ansatz, also known as the antisymmetric product of 1 reference orbital geminal, and the density matrix renormalization group algorithm. Furthermore, we will illustrate how concepts of quantum information theory provide us with a qualitative understanding of complex electronic structures using the picture of interacting orbitals. While modern quantum chemistry facilitates a quantitative description of atoms and molecules as well as their properties, concepts of quantum information theory offer new strategies for a qualitative interpretation that can shed new light onto the chemistry of complex molecular compounds.Comment: 43 pages, 3 figures, Version of Recor