For design purposes one needs to relate the structure of proposed materials to their NLO (nonlinear optical) and other properties, which is a situation where theoretical approaches can be very helpful in providing suggestions for candidate systems that subsequently can be synthesized and studied experimentally. This brief describes the quantum-mechanical treatment of the response to one or more external oscillating electric fields for molecular and macroscopic, crystalline systems. To calculate NLO properties of large systems, a linear scaling generalized elongation method for the efficient and accurate calculation is introduced. The reader should be aware that this treatment is particularly feasible for complicated three-dimensional and/or delocalized systems that are intractable when applied to conventional or other linear scaling methods.
This brief provides an overview of theoretical research in organic ferromagnetic material design using quantum chemical approaches based on molecular orbital theory from primary Hückel to ab initio levels of theory. Most of the content describes the authors’ approach to identify simple and efficient guidelines for magnetic design, which have not been described in other books. Individual chapters cover quantum chemistry methods that may be used to find hydrocarbon systems with degenerate non-bonding molecular orbitals that interact with each other, to identify high-spin-preferred systems using an analytical index that allows for simple design of high-spin systems as well as to analyze the effect of high-spin stability through orbital interactions. The extension of these methods to large systems is discussed.This book is a valuable resource for students and researchers who are interested in quantum chemistry related to magnetic property.
This book analyzes the role of Đại Việt (Vietnam) in the maritime Asian trading network of the thirteenth through the eighteenth centuries as it systematically integrates the results of archaeological investigations. The first half of the book consolidates reports from excavations conducted at Vân Đồn and Phố Hiến, trading ports of Đại Việt, incorporating sophisticated archaeological techniques distinctive of Japan in the presentations of the data. These are accompanied by precise scale drawings, detailed classifications, and quantitative analyses of unearthed artifacts. The latter half of the book discusses the materials discovered in archaeological investigations, specifically ceramics and coins, in terms of the relations among sites and networks of production, distribution, and consumption, from a broader Asian geohistorical perspective. To this end, the diplomatic policies and trading activities of each era in Vietnam are discussed, integrating the results of archaeological investigations with studies of historical documents. Expanding beyond Vietnam, results of the archaeological investigations in other maritime Asian countries, such as Japan, Indonesia, Laos, and the Philippines, are introduced, to inform a comparative study that combines all such data from both archaeology and history in a single volume as materials for broader discussion. This book is expected to contribute to international academic discourse on the history of maritime Asia and help open a new phase of scholarly endeavor in this field.
Two-fluid dynamics is a challenging subject rich in physics and prac tical applications. Many of the most interesting problems are tied to the loss of stability which is realized in preferential positioning and shaping of the interface, so that interfacial stability is a major player in this drama. Typically, solutions of equations governing the dynamics of two fluids are not uniquely determined by the boundary data and different configurations of flow are compatible with the same data. This is one reason why stability studies are important; we need to know which of the possible solutions are stable to predict what might be observed. When we started our studies in the early 1980's, it was not at all evident that stability theory could actu ally work in the hostile environment of pervasive nonuniqueness. We were pleasantly surprised, even astounded, by the extent to which it does work. There are many simple solutions, called basic flows, which are never stable, but we may always compute growth rates and determine the wavelength and frequency of the unstable mode which grows the fastest. This proce dure appears to work well even in deeply nonlinear regimes where linear theory is not strictly valid, just as Lord Rayleigh showed long ago in his calculation of the size of drops resulting from capillary-induced pinch-off of an inviscid jet.
This brief provides an overview of theoretical research in organic ferromagnetic material design using quantum chemical approaches based on molecular orbital theory from primary Hückel to ab initio levels of theory. Most of the content describes the authors’ approach to identify simple and efficient guidelines for magnetic design, which have not been described in other books. Individual chapters cover quantum chemistry methods that may be used to find hydrocarbon systems with degenerate non-bonding molecular orbitals that interact with each other, to identify high-spin-preferred systems using an analytical index that allows for simple design of high-spin systems as well as to analyze the effect of high-spin stability through orbital interactions. The extension of these methods to large systems is discussed.This book is a valuable resource for students and researchers who are interested in quantum chemistry related to magnetic property.
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