Efficient Electronic Structure Theory via Hierarchical Scale-Adaptive Coupled-Cluster Formalism: I. Theory and Computational Complexity Analysis

A novel reduced-scaling, general-order coupled-cluster approach is formulated by exploiting hierarchical representations of many-body tensors, combined with the recently suggested formalism of scale-adaptive tensor algebra. Inspired by the hierarchical techniques from the renormalization group approach, H/H2-matrix algebra and fast multipole method, the computational scaling reduction in our formalism is achieved via coarsening of quantum many-body interactions at larger interaction scales, thus imposing a hierarchical structure on many-body tensors of coupled-cluster theory. In our approach, the interaction scale can be defined on any appropriate Euclidean domain (spatial domain, momentum-space domain, energy domain, etc.). We show that the hierarchically resolved many-body tensors reduce the storage requirements to O(N), where N is the number of simulated quantum particles. Subsequently, we prove that any connected many-body diagram with arbitrary-order tensors, e.g., an arbitrary coupled-cluster diagram, can be evaluated in O(NlogN) floating-point operations. On top of that, we elaborate an additional approximation to further reduce the computational complexity of higher-order coupled-cluster equations, i.e., equations involving higher than double excitations, which otherwise would introduce a large prefactor into formal O(NlogN) scaling

The experience of social adaptation problem solving in the Donbass region of Ukraine

Old industrial regions such as Donbass region in Ukraine, require intensive restructurization to facilitate them full participation in the economic life of the country on equal rights as other regions of Ukraine as well as to ensure proper life conditions to the inhabitants of these regions, in which huge part of the country's population concentrate. Now this problem is solving mostly by means of technical closing of unprofitable enterprises. Especially it concerns the coal mine industry. This is a right way assuming that exists a real program of restructuring which includes not only the main steps of it but also the evaluation of all the process along with estimation of social transition cost. But because of absence of a sober policy in this process and poor information dissemination the government gets into a much more complicated problem - the growth of social unprotection, unsettleness and pauperization of a huge layer of the active able-bodied population. Such social cost of ungrounded restructurization is difficult to be accepted in modern state. In order to facilitate process of adaptation of population to new conditions the International Renaissance Foundation with Polish partners have jointly launched a project aimed at the development and dissemination of a strategy and methods of economic and social problems solving which connected to the process of restructurization of old industrial regions in countries in transition. The main topics of the project: - Regional community member's awareness. - General education, training the present and future managerial cadre, re-qualification and socio-professional reconversion. - Role of information in the process of restructurization. - Transformation the old and setting up new enterprises. - Creation and improvement of the instruments and the institutions of regional restructurization. - Conducting a forum of public dialogue. There are steps that have been already done on the way of project implementation: - Quantitative investigations - sociological analysis of four sites in Donetsk region mostly populated with coal miner's families. - Qualitative investigations on the above mentioned topics. - Three workshops conducted in Donetsk region (sities of Donetsk, Mekeevka and Stakhanov). - One workshop conducted in Gliwice (Poland). All the workshops were dedicated to investigation of the approaches to the creation of a decision making strategy which would help to solve problems of industrial restructurization, rebuilding of country's economy, and economic and social consequences of this processes. Along with the project implementation there have been established the Agency for Regional Development in Donetsk as an institution that is aimed to help the economic reforms promotion and practical implementation of the steps on structural rebuilding in the Donetsk region. In addition, two centers for Social Adaptation of Coal Miners were set in the sites of closed coal mines in Donetsk with the help of the International Renaissance Foundation. The future development of this project assumes to widen the circle of its participants including representatives from Nord-Rhein Westphalen (Germany) and Nord-Pas-de-Calais (France). The overall objective of the new phase of it is to use the combined experience of the project partners in order to develop and implement strategies which effectively address the economic problems caused by the decline in the coal mine industry. Key words: restructurization, social adaptation, decision making strategy.

The experience of social adaptation problem solving in the Donbass region of Ukraine

Old industrial regions such as Donbass region in Ukraine, require intensive restructurization to facilitate them full participation in the economic life of the country on equal rights as other regions of Ukraine as well as to ensure proper life conditions to the inhabitants of these regions, in which huge part of the country's population concentrate. Now this problem is solving mostly by means of technical closing of unprofitable enterprises. Especially it concerns the coal mine industry. This is a right way assuming that exists a real program of restructuring which includes not only the main steps of it but also the evaluation of all the process along with estimation of social transition cost. But because of absence of a sober policy in this process and poor information dissemination the government gets into a much more complicated problem - the growth of social unprotection, unsettleness and pauperization of a huge layer of the active able-bodied population. Such social cost of ungrounded restructurization is difficult to be accepted in modern state. In order to facilitate process of adaptation of population to new conditions the International Renaissance Foundation with Polish partners have jointly launched a project aimed at the development and dissemination of a strategy and methods of economic and social problems solving which connected to the process of restructurization of old industrial regions in countries in transition. The main topics of the project: - Regional community member's awareness. - General education, training the present and future managerial cadre, re-qualification and socio-professional reconversion. - Role of information in the process of restructurization. - Transformation the old and setting up new enterprises. - Creation and improvement of the instruments and the institutions of regional restructurization. - Conducting a forum of public dialogue. There are steps that have been already done on the way of project implementation: - Quantitative investigations - sociological analysis of four sites in Donetsk region mostly populated with coal miner's families. - Qualitative investigations on the above mentioned topics. - Three workshops conducted in Donetsk region (sities of Donetsk, Mekeevka and Stakhanov). - One workshop conducted in Gliwice (Poland). All the workshops were dedicated to investigation of the approaches to the creation of a decision making strategy which would help to solve problems of industrial restructurization, rebuilding of country's economy, and economic and social consequences of this processes. Along with the project implementation there have been established the Agency for Regional Development in Donetsk as an institution that is aimed to help the economic reforms promotion and practical implementation of the steps on structural rebuilding in the Donetsk region. In addition, two centers for Social Adaptation of Coal Miners were set in the sites of closed coal mines in Donetsk with the help of the International Renaissance Foundation. The future development of this project assumes to widen the circle of its participants including representatives from Nord-Rhein Westphalen (Germany) and Nord-Pas-de-Calais (France). The overall objective of the new phase of it is to use the combined experience of the project partners in order to develop and implement strategies which effectively address the economic problems caused by the decline in the coal mine industry. Key words: restructurization, social adaptation, decision making strategy

High Power Thermoelectrically Cooled and Uncooled Quantum Cascade Lasers With Optimized Reflectivity Facet Coatings

We present a method of preserving the device wall-plug efficiency by adjusting mirror losses with facet coatings for longer cavity quantum cascade lasers. An experimental study of output power and wall-plug efficiency as functions of mirror losses was performed by varying the front facet coating reflectivity with a high-reflectivity-coated rear facet. The use of optimized reflectivity coatings on 7-mm-long chips resulted in continuous-wave output power of 2.9 W at 293 K for thermoelectrically cooled devices mounted on AlN submounts and average and continuous-wave output power in excess of 1 W for uncooled devices emitting at 4.6 µm.Engineering and Applied Science

Designing the setup for testing of a 30 kW steam turbine

In order to investigate a low power steam turbine with a non-standard design, an experimental stand was assembled. The main tasks in the tests are to determine the turbine efficiency and obtain the turbine power dependence on the steam consumption in steady-state conditions. The stand scheme and the equipment characteristics are given. The testing technique is described. Based on obtained results, will be conclusion made about the turbine's preparedness for mass production.С целью исследования паровой турбины малой мощности с нестандартной конструкцией собран экспериментальный стенд. Основными задачами при испытаниях является определение эффективности турбины и получение зависимости мощности турбины от расхода пара в установившихся режимах. Приведена схема стенда и характеристики оборудования. Описана методика проведения испытаний. Основываясь на полученных результатах, будет сделан вывод о готовности турбины к серийному производству

3 W Continuous-Wave Room Temperature Single-Facet Emission From Quantum Cascade Lasers Based On Nonresonant Extraction Design Approach

A strain-balanced, InP-based quantum cascade laser structure, designed for light emission at 4.6 $\mu$m using a new nonresonant extraction design approach, was grown by molecular beam epitaxy. Removal of the restrictive two-phonon resonant condition, currently used in most structure designs, allows simultaneous optimization of several design parameters influencing laser performance. Following the growth, the structure was processed in buried heterostructure. Maximum single-ended continuous-wave optical power of 3 W was obtained at 293 K for devices with stripe dimensions of 5 mm 11.6 $\mu$m. Corresponding maximum wallplug efficiency and threshold current density were measured to be 12.7% and 0.86 kA/cm$^{2}$.Physic

Correct quantum chemistry in a minimal basis from effective Hamiltonians

We describe how to create ab-initio effective Hamiltonians that qualitatively describe correct chemistry even when used with a minimal basis. The Hamiltonians are obtained by folding correlation down from a large parent basis into a small, or minimal, target basis, using the machinery of canonical transformations. We demonstrate the quality of these effective Hamiltonians to correctly capture a wide range of excited states in water, nitrogen, and ethylene, and to describe ground and excited state bond-breaking in nitrogen and the chromium dimer, all in small or minimal basis sets

Вплив типу субстрату на обкорінення живців двох видів фуксії – Fuchsia magellanica Lam. та F. triphylla L.

The results of studing influence of different substratum (water, sand, peat and perlite) on shoot rooting of two species of fuchsia – Fuchsia magellanica Lam. and Fuchsia triphylla L. are presented. It was established that Fuchsia magellanica formed roots better in perlite and sand, while Fuchsia triphylla – in peat and perlite. Fuchsia triphylla formed larger roots per shoot in comparison with Fuchsia magellanica in all substrata.Наведено результати вивчення впливу різних субстратів (вода, пісок, торф та перліт) на обкорінення живців двох видів фуксії – Fuchsia magellanica Lam. та F. triphylla L. Установлено, що фуксія магеланська найкраще обкорінюється у перліті та піску, а ф. трьохлисткова – у торфі та перліті, при цьому утворюючи значно більшу кількість коренів на живець