Molecular Electronic-Structure Theory

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Publisher : John Wiley & Sons
ISBN 13 : 1119019559
Total Pages : 949 pages
Book Rating : 4.1/5 (19 download)

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Book Synopsis Molecular Electronic-Structure Theory by : Trygve Helgaker

Download or read book Molecular Electronic-Structure Theory written by Trygve Helgaker and published by John Wiley & Sons. This book was released on 2014-08-11 with total page 949 pages. Available in PDF, EPUB and Kindle. Book excerpt: Ab initio quantum chemistry has emerged as an important tool in chemical research and is appliced to a wide variety of problems in chemistry and molecular physics. Recent developments of computational methods have enabled previously intractable chemical problems to be solved using rigorous quantum-mechanical methods. This is the first comprehensive, up-to-date and technical work to cover all the important aspects of modern molecular electronic-structure theory. Topics covered in the book include: * Second quantization with spin adaptation * Gaussian basis sets and molecular-integral evaluation * Hartree-Fock theory * Configuration-interaction and multi-configurational self-consistent theory * Coupled-cluster theory for ground and excited states * Perturbation theory for single- and multi-configurational states * Linear-scaling techniques and the fast multipole method * Explicity correlated wave functions * Basis-set convergence and extrapolation * Calibration and benchmarking of computational methods, with applications to moelcular equilibrium structure, atomization energies and reaction enthalpies. Molecular Electronic-Structure Theory makes extensive use of numerical examples, designed to illustrate the strengths and weaknesses of each method treated. In addition, statements about the usefulness and deficiencies of the various methods are supported by actual examples, not just model calculations. Problems and exercises are provided at the end of each chapter, complete with hints and solutions. This book is a must for researchers in the field of quantum chemistry as well as for nonspecialists who wish to acquire a thorough understanding of ab initio molecular electronic-structure theory and its applications to problems in chemistry and physics. It is also highly recommended for the teaching of graduates and advanced undergraduates.

The Structure of Evolutionary Theory

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Publisher : Harvard University Press
ISBN 13 : 0674417925
Total Pages : 1460 pages
Book Rating : 4.6/5 (744 download)

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Book Synopsis The Structure of Evolutionary Theory by : Stephen Jay Gould

Download or read book The Structure of Evolutionary Theory written by Stephen Jay Gould and published by Harvard University Press. This book was released on 2002-03-21 with total page 1460 pages. Available in PDF, EPUB and Kindle. Book excerpt: The world’s most revered and eloquent interpreter of evolutionary ideas offers here a work of explanatory force unprecedented in our time—a landmark publication, both for its historical sweep and for its scientific vision. With characteristic attention to detail, Stephen Jay Gould first describes the content and discusses the history and origins of the three core commitments of classical Darwinism: that natural selection works on organisms, not genes or species; that it is almost exclusively the mechanism of adaptive evolutionary change; and that these changes are incremental, not drastic. Next, he examines the three critiques that currently challenge this classic Darwinian edifice: that selection operates on multiple levels, from the gene to the group; that evolution proceeds by a variety of mechanisms, not just natural selection; and that causes operating at broader scales, including catastrophes, have figured prominently in the course of evolution. Then, in a stunning tour de force that will likely stimulate discussion and debate for decades, Gould proposes his own system for integrating these classical commitments and contemporary critiques into a new structure of evolutionary thought. In 2001 the Library of Congress named Stephen Jay Gould one of America’s eighty-three Living Legends—people who embody the “quintessentially American ideal of individual creativity, conviction, dedication, and exuberance.” Each of these qualities finds full expression in this peerless work, the likes of which the scientific world has not seen—and may not see again—for well over a century.

The Structure of Social Theory

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Publisher : Routledge
ISBN 13 : 0415652065
Total Pages : 280 pages
Book Rating : 4.4/5 (156 download)

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Book Synopsis The Structure of Social Theory by : Anthony King

Download or read book The Structure of Social Theory written by Anthony King and published by Routledge. This book was released on 2012 with total page 280 pages. Available in PDF, EPUB and Kindle. Book excerpt: Over the last three decades, social theory has become an increasingly important subdiscipline within sociology. Social theory has attempted to elucidate the philosophical basis of sociology by defining the nature of social reality. According to social theory, society consists of objective institutions, structure, on the one hand, and individuals, agency on the other, it promotes human social relations, insisting that in every instance social reality consists of these relations.

Computable Structure Theory

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Publisher : Cambridge University Press
ISBN 13 : 1108534422
Total Pages : 214 pages
Book Rating : 4.1/5 (85 download)

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Book Synopsis Computable Structure Theory by : Antonio Montalbán

Download or read book Computable Structure Theory written by Antonio Montalbán and published by Cambridge University Press. This book was released on 2021-06-24 with total page 214 pages. Available in PDF, EPUB and Kindle. Book excerpt: In mathematics, we know there are some concepts - objects, constructions, structures, proofs - that are more complex and difficult to describe than others. Computable structure theory quantifies and studies the complexity of mathematical structures, structures such as graphs, groups, and orderings. Written by a contemporary expert in the subject, this is the first full monograph on computable structure theory in 20 years. Aimed at graduate students and researchers in mathematical logic, it brings new results of the author together with many older results that were previously scattered across the literature and presents them all in a coherent framework, making it easier for the reader to learn the main results and techniques in the area for application in their own research. This volume focuses on countable structures whose complexity can be measured within arithmetic; a forthcoming second volume will study structures beyond arithmetic.

Structure Theory for Canonical Classes of Finite Groups

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Publisher : Springer
ISBN 13 : 3662457474
Total Pages : 369 pages
Book Rating : 4.6/5 (624 download)

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Book Synopsis Structure Theory for Canonical Classes of Finite Groups by : Wenbin Guo

Download or read book Structure Theory for Canonical Classes of Finite Groups written by Wenbin Guo and published by Springer. This book was released on 2015-04-23 with total page 369 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book offers a systematic introduction to recent achievements and development in research on the structure of finite non-simple groups, the theory of classes of groups and their applications. In particular, the related systematic theories are considered and some new approaches and research methods are described – e.g., the F-hypercenter of groups, X-permutable subgroups, subgroup functors, generalized supplementary subgroups, quasi-F-group, and F-cohypercenter for Fitting classes. At the end of each chapter, we provide relevant supplementary information and introduce readers to selected open problems.

Theory Beyond Structure and Agency

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Publisher : Palgrave Macmillan
ISBN 13 : 9783030189853
Total Pages : 277 pages
Book Rating : 4.1/5 (898 download)

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Book Synopsis Theory Beyond Structure and Agency by : Jean-Sébastien Guy

Download or read book Theory Beyond Structure and Agency written by Jean-Sébastien Guy and published by Palgrave Macmillan. This book was released on 2020-09-20 with total page 277 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book offers a solution for the problem of structure and agency in sociological theory by developing a new pair of fundamental concepts: metric and nonmetric. Nonmetric forms, arising in a crowd made out of innumerable individuals, correspond to social groups that divide the many individuals in the crowd into insiders and outsiders. Metric forms correspond to congested zones like traffic jams on a highway: individuals are constantly entering and leaving these zones so that they continue to exist, even though the individuals passing through them change. Building from these concepts, we can understand “agency” as a requirement for group identity and group membership, thus associating it with nonmetric forms, and “structure” as a building-up effect following the accumulation of metric forms. This reveals the contradiction between structure and agency to be a case of forced perspective, leaving us victim to an optical illusion.

Theory of Value Structure

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Publisher : Rowman & Littlefield
ISBN 13 : 1793616957
Total Pages : 234 pages
Book Rating : 4.7/5 (936 download)

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Book Synopsis Theory of Value Structure by : Erich H. Rast

Download or read book Theory of Value Structure written by Erich H. Rast and published by Rowman & Littlefield. This book was released on 2022-03-08 with total page 234 pages. Available in PDF, EPUB and Kindle. Book excerpt: The theory of value structure concerns the meaning of “better than” and “good,” as well as the way in which values serve as a basis for rational decision making. Drawing methodologically from economics and theories of decision making, the aim of serious axiology in metaethics is to do justice to problems that have puzzled philosophers of value for centuries. Can value comparisons be cyclic? Are all values comparable with each other and can decision makers just add up different aspects of an evaluation to determine the best course of action? A Theory of Value Structure: From Values to Decisions starts with a thorough introduction to the modeling of “better than” comparisons from a normative perspective. In the philosophical part of the book, Erich H. Rast argues that aspects of “better than” comparisons can differ qualitatively so much that one aspect may outrank another. Consequently, the classical weighted sum aggregation model fails. Values cannot always be summed up and comparisons may be fundamentally noncompensatory, an indeterminacy that explains problems like the apparent nontransitivity of “better than” and hard cases in decision making. Using a lexicographic method of value comparisons, Rast develops a multidimensional theory of “better than” and shows how and to which extent it can be combined with standard methods of decision making under uncertainty by using rank-dependent utility theory.

Electronic Structure

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Publisher : Cambridge University Press
ISBN 13 : 9780521782852
Total Pages : 658 pages
Book Rating : 4.7/5 (828 download)

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Book Synopsis Electronic Structure by : Richard M. Martin

Download or read book Electronic Structure written by Richard M. Martin and published by Cambridge University Press. This book was released on 2004-04-08 with total page 658 pages. Available in PDF, EPUB and Kindle. Book excerpt: An important graduate textbook in condensed matter physics by highly regarded physicist.

Berry Phases in Electronic Structure Theory

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Publisher : Cambridge University Press
ISBN 13 : 110715765X
Total Pages : 395 pages
Book Rating : 4.1/5 (71 download)

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Book Synopsis Berry Phases in Electronic Structure Theory by : David Vanderbilt

Download or read book Berry Phases in Electronic Structure Theory written by David Vanderbilt and published by Cambridge University Press. This book was released on 2018-11 with total page 395 pages. Available in PDF, EPUB and Kindle. Book excerpt: An introduction to the role of Berry phases in our modern understanding of the physics of electrons in solids.

Theory of Structures

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Publisher : John Wiley & Sons
ISBN 13 : 3433602611
Total Pages : 997 pages
Book Rating : 4.4/5 (336 download)

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Book Synopsis Theory of Structures by : Peter Marti

Download or read book Theory of Structures written by Peter Marti and published by John Wiley & Sons. This book was released on 2013-03-20 with total page 997 pages. Available in PDF, EPUB and Kindle. Book excerpt: Das Werk liefert eine einheitliche Darstellung der Baustatik auf der Grundlage der Technischen Mechanik. Es behandelt Stab- und Flächentragwerke nach der Elastizitäts- und Plastizitätstheorie. Es betont den geschichtlichen Hintergrund und den Bezug zur praktischen Ingenieurtätigkeit und dokumentiert erstmals in umfassender Weise die spezielle Schule, die sich in den letzten 50 Jahren an der ETH in Zürich herausgebildet hat. Als Lehrbuch enthält das Werk viele durchgearbeitete Beispiele und Aufgaben zum vertieften Studium. Die einzelnen Kapitel werden durch Zusammenfassungen abgeschlossen, welche die wichtigsten Lehrinhalte in prägnanter Form hervorheben. Die verwendeten Fachausdrücke sind in einem Anhang definiert. Als Nachschlagewerk enthält das Buch ein umfassendes Stichwortverzeichnis. Die Gliederung des Inhalts und Hervorhebungen im Text erleichtern die Übersicht. Bezeichnungen, Werkstoff- und Querschnittswerte sowie Abrisse der Matrizenalgebra, der Tensorrechnung und der Variationsrechnung sind in Anhängen zusammengefasst. Insgesamt richtet sich das Buch als Grundlagenwerk an Studierende und Lehrende ebenso wie an Bauingenieure in der Praxis. Es bezweckt, seine Leser zu einer sinnvollen Modellierung und Behandlung von Tragwerken zu befähigen und sie bei den unter ihrer Verantwortung vorgenommenen Projektierungs- und Überprüfungsarbeiten von Tragwerken zu unterstützen.

The Theory of Social Structure

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Publisher :
ISBN 13 :
Total Pages : 0 pages
Book Rating : 4.:/5 (16 download)

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Book Synopsis The Theory of Social Structure by : Siegfried F. Nadel

Download or read book The Theory of Social Structure written by Siegfried F. Nadel and published by . This book was released on 1969 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt:

An Introduction to the Theory of Stellar Structure and Evolution

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Publisher : Cambridge University Press
ISBN 13 : 1316284301
Total Pages : 341 pages
Book Rating : 4.3/5 (162 download)

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Book Synopsis An Introduction to the Theory of Stellar Structure and Evolution by : Dina Prialnik

Download or read book An Introduction to the Theory of Stellar Structure and Evolution written by Dina Prialnik and published by Cambridge University Press. This book was released on 2009-10-29 with total page 341 pages. Available in PDF, EPUB and Kindle. Book excerpt: Using fundamental physics, the theory of stellar structure and evolution can predict how stars are born, how their complex internal structure changes, what nuclear fuel they burn, and their ultimate fate. This textbook is a stimulating introduction for undergraduates in astronomy, physics and applied mathematics, taking a course on the physics of stars. It uniquely emphasises the basic physical principles governing stellar structure and evolution. This second edition contains two new chapters on mass loss from stars and interacting binary stars, and new exercises. Clear and methodical, it explains the processes in simple terms, while maintaining mathematical rigour. Starting from general principles, this textbook leads students step-by-step to a global, comprehensive understanding of the subject. Fifty exercises and full solutions allow students to test their understanding. No prior knowledge of astronomy is required, and only a basic background in physics and mathematics is necessary.

Nilpotent Structures in Ergodic Theory

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Publisher : American Mathematical Soc.
ISBN 13 : 1470447800
Total Pages : 427 pages
Book Rating : 4.4/5 (74 download)

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Book Synopsis Nilpotent Structures in Ergodic Theory by : Bernard Host

Download or read book Nilpotent Structures in Ergodic Theory written by Bernard Host and published by American Mathematical Soc.. This book was released on 2018-12-12 with total page 427 pages. Available in PDF, EPUB and Kindle. Book excerpt: Nilsystems play a key role in the structure theory of measure preserving systems, arising as the natural objects that describe the behavior of multiple ergodic averages. This book is a comprehensive treatment of their role in ergodic theory, covering development of the abstract theory leading to the structural statements, applications of these results, and connections to other fields. Starting with a summary of the relevant dynamical background, the book methodically develops the theory of cubic structures that give rise to nilpotent groups and reviews results on nilsystems and their properties that are scattered throughout the literature. These basic ingredients lay the groundwork for the ergodic structure theorems, and the book includes numerous formulations of these deep results, along with detailed proofs. The structure theorems have many applications, both in ergodic theory and in related fields; the book develops the connections to topological dynamics, combinatorics, and number theory, including an overview of the role of nilsystems in each of these areas. The final section is devoted to applications of the structure theory, covering numerous convergence and recurrence results. The book is aimed at graduate students and researchers in ergodic theory, along with those who work in the related areas of arithmetic combinatorics, harmonic analysis, and number theory.

The Constitution of Society

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Publisher : John Wiley & Sons
ISBN 13 : 0745665284
Total Pages : 585 pages
Book Rating : 4.7/5 (456 download)

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Book Synopsis The Constitution of Society by : Anthony Giddens

Download or read book The Constitution of Society written by Anthony Giddens and published by John Wiley & Sons. This book was released on 2013-06-28 with total page 585 pages. Available in PDF, EPUB and Kindle. Book excerpt: Anthony Giddens has been in the forefront of developments in social theory for the past decade. In The Constitution of Society he outlines the distinctive position he has evolved during that period and offers a full statement of a major new perspective in social thought, a synthesis and elaboration of ideas touched on in previous works but described here for the first time in an integrated and comprehensive form. A particular feature is Giddens's concern to connect abstract problems of theory to an interpretation of the nature of empirical method in the social sciences. In presenting his own ideas, Giddens mounts a critical attack on some of the more orthodox sociological views. The Constitution of Society is an invaluable reference book for all those concerned with the basic issues in contemporary social theory.

Methods of Electronic Structure Theory

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Publisher : Springer Science & Business Media
ISBN 13 : 1475708874
Total Pages : 476 pages
Book Rating : 4.4/5 (757 download)

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Book Synopsis Methods of Electronic Structure Theory by : Henry F. Schaefer

Download or read book Methods of Electronic Structure Theory written by Henry F. Schaefer and published by Springer Science & Business Media. This book was released on 2013-06-29 with total page 476 pages. Available in PDF, EPUB and Kindle. Book excerpt: These two volumes deal with the quantum theory of the electronic structure of molecules. Implicit in the term ab initio is the notion that approximate solutions of Schrödinger's equation are sought "from the beginning," i. e. , without recourse to experimental data. From a more pragmatic viewpoint, the distin guishing feature of ab initio theory is usually the fact that no approximations are involved in the evaluation of the required molecular integrals. Consistent with current activity in the field, the first of these two volumes contains chapters dealing with methods per se, while the second concerns the application of these methods to problems of chemical interest. In asense, the motivation for these volumes has been the spectacular recent success of ab initio theory in resolving important chemical questions. However, these applications have only become possible through the less visible but equally important efforts of those develop ing new theoretical and computational methods and models. Henry F Schaefer Vll Contents Contents of Volume 4 XIX Chapter 1. Gaussian Basis Sets for Molecular Calculations Thom. H. Dunning, Ir. and P. Ieffrey Hay 1. Introduction . . . . . . . . . . . . . . . . 1 1. 1. Slater Functions and the Hydrogen Moleeule 1 1. 2. Gaussian Functions and the Hydrogen Atom 3 2. Hartree-Fock Calculations on the First Row Atoms 5 2. 1. Valence States of the First Row Atoms 6 7 2. 2. Rydberg States of the First Row Atoms 9 2. 3.

Toward a Structural Theory of Action

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Publisher : Academic Press
ISBN 13 : 1483288277
Total Pages : 400 pages
Book Rating : 4.4/5 (832 download)

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Book Synopsis Toward a Structural Theory of Action by : Peter H. Rossi

Download or read book Toward a Structural Theory of Action written by Peter H. Rossi and published by Academic Press. This book was released on 2013-10-22 with total page 400 pages. Available in PDF, EPUB and Kindle. Book excerpt: Toward a Structural Theory of Action: Network Models of Social Structure, Perception, and Action centers on the concept of social structure, perceptions, and actions, as well as the strategies through which these concepts guide empirical research. This book also proposes a model of status/role-sets as patterns of relationships defining positions in the social topology. This text consists of nine chapters separated into three parts. Chapter 1 introduces the goals and organization of the book. Chapters 2-4 provide analytical synopsis of available network models of social differentiation, and then use these models in describing actual stratification. Chapter 5 presents a model in which actor interests are captured. Subsequent chapter assesses the empirical adequacy of the two predictions described in this book. Then, other chapters provide a network model of constraint and its empirical adequacy. This book will be valuable to anthropologists, economists, political scientists, and psychologists.

The History of the Theory of Structures

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Publisher : John Wiley & Sons
ISBN 13 : 3433601348
Total Pages : 864 pages
Book Rating : 4.4/5 (336 download)

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Book Synopsis The History of the Theory of Structures by : Karl-Eugen Kurrer

Download or read book The History of the Theory of Structures written by Karl-Eugen Kurrer and published by John Wiley & Sons. This book was released on 2012-01-09 with total page 864 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book traces the evolution of theory of structures and strength of materials - the development of the geometrical thinking of the Renaissance to become the fundamental engineering science discipline rooted in classical mechanics. Starting with the strength experiments of Leonardo da Vinci and Galileo, the author examines the emergence of individual structural analysis methods and their formation into theory of structures in the 19th century. For the first time, a book of this kind outlines the development from classical theory of structures to the structural mechanics and computational mechanics of the 20th century. In doing so, the author has managed to bring alive the differences between the players with respect to their engineering and scientific profiles and personalities, and to create an understanding for the social context. Brief insights into common methods of analysis, backed up by historical details, help the reader gain an understanding of the history of structural mechanics from the standpoint of modern engineering practice. A total of 175 brief biographies of important personalities in civil and structural engineering as well as structural mechanics plus an extensive bibliography round off this work.