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Relativistic Effects In Chemistry Set
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Book Synopsis Relativistic Quantum Chemistry by : Markus Reiher
Download or read book Relativistic Quantum Chemistry written by Markus Reiher and published by John Wiley & Sons. This book was released on 2009-05-13 with total page 692 pages. Available in PDF, EPUB and Kindle. Book excerpt: Written by two researchers in the field, this book is a reference to explain the principles and fundamentals in a self-contained, complete and consistent way. Much attention is paid to the didactical value, with the chapters interconnected and based on each other. From the contents: * Fundamentals * Relativistic Theory of a Free Electron: Diracï¿1⁄2s Equation * Dirac Theory of a Single Electron in a Central Potential * Many-Electron Theory I: Quantum Electrodynamics * Many-Electron Theory II: Dirac-Hartree-Fock Theory * Elimination of the Small Component * Unitary Transformation Schemes * Relativistic Density Functional Theory * Physical Observables and Molecular Properties * Interpretive Approach to Relativistic Quantum Chemistry From beginning to end, the authors deduce all the concepts and rules, such that readers are able to understand the fundamentals and principles behind the theory. Essential reading for theoretical chemists and physicists.
Book Synopsis Introduction to Relativistic Quantum Chemistry by : Kenneth G. Dyall
Download or read book Introduction to Relativistic Quantum Chemistry written by Kenneth G. Dyall and published by Oxford University Press. This book was released on 2007-04-19 with total page 544 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides an introduction to the essentials of relativistic effects in quantum chemistry, and a reference work that collects all the major developments in this field. It is designed for the graduate student and the computational chemist with a good background in nonrelativistic theory. In addition to explaining the necessary theory in detail, at a level that the non-expert and the student should readily be able to follow, the book discusses the implementation of the theory and practicalities of its use in calculations. After a brief introduction to classical relativity and electromagnetism, the Dirac equation is presented, and its symmetry, atomic solutions, and interpretation are explored. Four-component molecular methods are then developed: self-consistent field theory and the use of basis sets, double-group and time-reversal symmetry, correlation methods, molecular properties, and an overview of relativistic density functional theory. The emphases in this section are on the basics of relativistic theory and how relativistic theory differs from nonrelativistic theory. Approximate methods are treated next, starting with spin separation in the Dirac equation, and proceeding to the Foldy-Wouthuysen, Douglas-Kroll, and related transformations, Breit-Pauli and direct perturbation theory, regular approximations, matrix approximations, and pseudopotential and model potential methods. For each of these approximations, one-electron operators and many-electron methods are developed, spin-free and spin-orbit operators are presented, and the calculation of electric and magnetic properties is discussed. The treatment of spin-orbit effects with correlation rounds off the presentation of approximate methods. The book concludes with a discussion of the qualitative changes in the picture of structure and bonding that arise from the inclusion of relativity.
Book Synopsis The Effects of Relativity in Atoms, Molecules, and the Solid State by : Stephen Wilson
Download or read book The Effects of Relativity in Atoms, Molecules, and the Solid State written by Stephen Wilson and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 341 pages. Available in PDF, EPUB and Kindle. Book excerpt: Recent years have seen a growing interest in the effects of relativity in atoms, molecules and solids. On the one hand, this can be seen as result of the growing awareness of the importance of relativity in describing the properties of heavy atoms and systems containing them. This has been fueled by the inadequacy of physical models which either neglect relativity or which treat it as a small perturbation. On the other hand, it is dependent upon the technological developments which have resulted in computers powerful enough to make calculations on heavy atoms and on systems containing heavy atoms meaningful. Vector processing and, more recently, parallel processing techniques are playing an increasingly vital role in rendering the algorithms which arise in relativistic studies tractable. This has been exemplified in atomic structure theory, where the dominant role of the central nuclear charge simplifies the problem enough to permit some prediction to be made with high precision, especially for the highly ionized atoms of importance in plasma physics and in laser confinement studies. Today's sophisticated physical models of the atom derived from quantum electrodynamics would be intractable without recourse to modern computational machinery. Relativistic atomic structure calculations have a history dating from the early attempts of Swirles in the mid 1930's but continue to provide one of the primary test beds of modern theoretical physics.
Book Synopsis The Earth's Electric Field by : Michael C. Kelley
Download or read book The Earth's Electric Field written by Michael C. Kelley and published by Newnes. This book was released on 2013-09-21 with total page 230 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Earth's Electric Field provides you with an integrated and comprehensive picture of the generation of the terrestrial electric fields, their dynamics and how they couple/propagate through the medium. The Earth's Electric Field provides basic principles of terrestrial electric field related topics, but also a critical summary of electric field related observations and their significance to the various related phenomena in the atmosphere. For the first time, Kelley brings together information on this topic in a coherent way, making it easy to gain a broad overview of the critical processes in an efficient way. If you conduct research in atmospheric science, physics, atmospheric chemistry, space plasma physics, and solar terrestrial physics, you will find this book to be essential reading. - The only book on the physics of terrestrial electric fields and their generation mechanisms, propagation and dynamics–making it essential reading for scientists conducting research in upper atmospheric, ionospheric, magnetospheric and space weather - Covers the processes related to electric field generation and electric field coupling in the upper atmosphere along with providing new insights about electric fields generated by sources from sun to mud - Focuses on real-world implications—covering topics such as space weather, earthquakes, the effect on power grids, and the effect on GPS and communication devices
Book Synopsis Computational Quantum Chemistry by : Joseph J W McDouall
Download or read book Computational Quantum Chemistry written by Joseph J W McDouall and published by Royal Society of Chemistry. This book was released on 2015-11-09 with total page 252 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational Quantum Chemistry presents computational electronic structure theory as practised in terms of ab initio waveform methods and density functional approaches. Getting a full grasp of the field can often prove difficult, since essential topics fall outside of the scope of conventional chemistry education. This professional reference book provides a comprehensive introduction to the field. Postgraduate students and experienced researchers alike will appreciate Joseph McDouall's engaging writing style. The book is divided into five chapters, each providing a major aspect of the field. Electronic structure methods, the computation of molecular properties, methods for analysing the output from computations and the importance of relativistic effects on molecular properties are also discussed. Links to the websites of widely used software packages are provided so that the reader can gain first hand experience of using the techniques described in the book.
Book Synopsis Ideas of Quantum Chemistry by : Lucjan Piela
Download or read book Ideas of Quantum Chemistry written by Lucjan Piela and published by Elsevier. This book was released on 2006-11-28 with total page 1122 pages. Available in PDF, EPUB and Kindle. Book excerpt: Ideas of Quantum Chemistry shows how quantum mechanics is applied to chemistry to give it a theoretical foundation. The structure of the book (a TREE-form) emphasizes the logical relationships between various topics, facts and methods. It shows the reader which parts of the text are needed for understanding specific aspects of the subject matter. Interspersed throughout the text are short biographies of key scientists and their contributions to the development of the field.Ideas of Quantum Chemistry has both textbook and reference work aspects. Like a textbook, the material is organized into digestable sections with each chapter following the same structure. It answers frequently asked questions and highlights the most important conclusions and the essential mathematical formulae in the text. In its reference aspects, it has a broader range than traditional quantum chemistry books and reviews virtually all of the pertinent literature. It is useful both for beginners as well as specialists in advanced topics of quantum chemistry. The book is supplemented by an appendix on the Internet.* Presents the widest range of quantum chemical problems covered in one book * Unique structure allows material to be tailored to the specific needs of the reader * Informal language facilitates the understanding of difficult topics
Book Synopsis The Chemistry of Organogold Compounds, 2 Volume Set by : Zvi Rappoport
Download or read book The Chemistry of Organogold Compounds, 2 Volume Set written by Zvi Rappoport and published by John Wiley & Sons. This book was released on 2015-04-20 with total page 1158 pages. Available in PDF, EPUB and Kindle. Book excerpt: The first book in the PATAI Series was published in 1964 and the Series will celebrate its 50th Anniversary in 2014. This "Golden Jubilee" is accompanied by the publication of the first volume on the chemistry of organogold. In the history of the PATAI Series there was, so far, no volume dedicated to gold alone. In 1999 we published a volume on The Chemistry of Gold and Silver Compounds. Since then a lot of new chemistry using gold has been developed and it is timely to focus a volume on methods and applications of organogold compounds in organic synthesis, reflecting the enormous progress which has been made in the use of gold compounds as reagents and catalysts. A second area of great importance covered in the book is the use of gold surfaces in the synthesis of peptides, proteins and other natural products. A whole range of applications in the area of biochemistry has resulted from these developments. A third area of interest is the synthesis and engineering of nanostructures, where organogold chemistry has opened the door for a wide range of methods and applications in the field of nanoscience and materials science. As with all new volumes, the chapters are first published online in Patai's Chemistry of Functional Groups. Once a volume is completed online, it is then published in print format. The printed book offers the traditional quality of the Patai Book Series, complete with an extensive index.
Book Synopsis Multiconfigurational Quantum Chemistry by : Björn O. Roos
Download or read book Multiconfigurational Quantum Chemistry written by Björn O. Roos and published by John Wiley & Sons. This book was released on 2016-08-08 with total page 240 pages. Available in PDF, EPUB and Kindle. Book excerpt: The first book to aid in the understanding of multiconfigurational quantum chemistry, Multiconfigurational Quantum Chemistry demystifies a subject that has historically been considered difficult to learn. Accessible to any reader with a background in quantum mechanics and quantum chemistry, the book contains illustrative examples showing how these methods can be used in various areas of chemistry, such as chemical reactions in ground and excited states, transition metal and other heavy element systems. The authors detail the drawbacks and limitations of DFT and coupled-cluster based methods and offer alternative, wavefunction-based methods more suitable for smaller molecules.
Book Synopsis Basis Sets in Computational Chemistry by : Eva Perlt
Download or read book Basis Sets in Computational Chemistry written by Eva Perlt and published by Springer Nature. This book was released on 2021-05-06 with total page 255 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book addresses the construction and application of the major types of basis sets for computational chemistry calculations. In addition to a general introduction, it includes mathematical basics and a discussion of errors arising from incomplete or inappropriate basis sets. The different chapters introduce local orbitals and orbital localization as well as Slater-type orbitals and review basis sets for special applications, such as those for correlated methods, solid-state calculations, heavy atoms and time-dependent adaptable Gaussian bases for quantum dynamics simulations. This detailed review of the purpose of basis sets, their design, applications, possible problems and available solutions provides graduate students and beginning researchers with information not easily obtained from the available textbooks and offers valuable supporting material for any quantum chemistry or computational chemistry course at the graduate and/or undergraduate level. This book is also useful as a guide for researchers who are new to computational chemistry but are willing to extend their research tools by applying such methods.
Download or read book University Physics written by OpenStax and published by . This book was released on 2016-11-04 with total page 622 pages. Available in PDF, EPUB and Kindle. Book excerpt: University Physics is a three-volume collection that meets the scope and sequence requirements for two- and three-semester calculus-based physics courses. Volume 1 covers mechanics, sound, oscillations, and waves. Volume 2 covers thermodynamics, electricity and magnetism, and Volume 3 covers optics and modern physics. This textbook emphasizes connections between between theory and application, making physics concepts interesting and accessible to students while maintaining the mathematical rigor inherent in the subject. Frequent, strong examples focus on how to approach a problem, how to work with the equations, and how to check and generalize the result. The text and images in this textbook are grayscale.
Book Synopsis Introduction to Quantum Mechanics with Applications to Chemistry by : Linus Pauling
Download or read book Introduction to Quantum Mechanics with Applications to Chemistry written by Linus Pauling and published by Courier Corporation. This book was released on 2012-06-08 with total page 500 pages. Available in PDF, EPUB and Kindle. Book excerpt: Classic undergraduate text explores wave functions for the hydrogen atom, perturbation theory, the Pauli exclusion principle, and the structure of simple and complex molecules. Numerous tables and figures.
Book Synopsis Computational Methods in Lanthanide and Actinide Chemistry by : Michael Dolg
Download or read book Computational Methods in Lanthanide and Actinide Chemistry written by Michael Dolg and published by John Wiley & Sons. This book was released on 2015-02-17 with total page 650 pages. Available in PDF, EPUB and Kindle. Book excerpt: The f-elements and their compounds often possess an unusually complex electronic structure, governed by the high number of electronic states arising from open f-shells as well as large relativistic and electron correlation effects. A correct theoretical description of these elements poses the highest challenges to theory. Computational Methods in Lanthanide and Actinide Chemistry summarizes state-of-the-art electronic structure methods applicable for quantum chemical calculations of lanthanide and actinide systems and presents a broad overview of their most recent applications to atoms, molecules and solids. The book contains sixteen chapters, written by leading experts in method development as well as in theoretical investigations of f-element systems. Topics covered include: Relativistic configuration interaction calculations for lanthanide and actinide anions Study of actinides by relativistic coupled cluster methods Relativistic all-electron approaches to the study of f- element chemistry Relativistic pseudopotentials and their applications Gaussian basis sets for lanthanide and actinide elements Applied computational actinide chemistry This book will serve as a comprehensive reference work for quantum chemists and computational chemists, both those already working in, and those planning to enter the field of quantum chemistry for f-elements. Experimentalists will also find important information concerning the capabilities of modern quantum chemical methods to assist in the interpretation or even to predict the outcome of their experiments.
Book Synopsis Relativistic Methods for Chemists by : Maria Barysz
Download or read book Relativistic Methods for Chemists written by Maria Barysz and published by Springer Science & Business Media. This book was released on 2010-04-15 with total page 622 pages. Available in PDF, EPUB and Kindle. Book excerpt: “Relativistic Methods for Chemists”, written by a highly qualified team of authors, is targeted at both experimentalists and theoreticians interested in the area of relativistic effects in atomic and molecular systems and processes and in their consequences for the interpretation of the heavy element’s chemistry. The theoretical part of the book focuses on the relativistic methods for molecular calculations discussing relativistic two-component theory, density functional theory, pseudopotentials and correlations. The experimentally oriented chapters describe the use of relativistic methods in different applications focusing on the design of new materials based on heavy element compounds, the role of the spin-orbit coupling in photochemistry and photobiology, and chirality and its relations to relativistic description of matter and radiation. This book is written at an intermediate level in order to appeal to a broader audience than just experts working in the field of relativistic theory.
Book Synopsis Light Scattering by Particles in Water by : Miroslaw Jonasz
Download or read book Light Scattering by Particles in Water written by Miroslaw Jonasz and published by Elsevier. This book was released on 2011-08-29 with total page 715 pages. Available in PDF, EPUB and Kindle. Book excerpt: Light scattering-based methods are used to characterize small particles suspended in water in a wide range of disciplines ranging from oceanography, through medicine, to industry. The scope and accuracy of these methods steadily increases with the progress in light scattering research. This book focuses on the theoretical and experimental foundations of the study and modeling of light scattering by particles in water and critically evaluates the key constraints of light scattering models. It begins with a brief review of the relevant theoretical fundamentals of the interaction of light with condensed matter, followed by an extended discussion of the basic optical properties of pure water and seawater and the physical principles that explain them. The book continues with a discussion of key optical features of the pure water/seawater and the most common components of natural waters. In order to clarify and put in focus some of the basic physical principles and most important features of the experimental data on light scattering by particles in water, the authors employ simple models. The book concludes with extensive critical reviews of the experimental constraints of light scattering models: results of measurements of light scattering and of the key properties of the particles: size distribution, refractive index (composition), structure, and shape. These reviews guide the reader through literature scattered among more than 210 scientific journals and periodicals which represent a wide range of disciplines. A special emphasis is put on the methods of measuring both light scattering and the relevant properties of the particles, because principles of these methods may affect interpretation and applicability of the results. The book includes extensive guides to literature on light scattering data and instrumentation design, as well as on the data for size distributions, refractive indices, and shapes typical of particles in natural waters. It also features a comprehensive index, numerous cross-references, and a reference list with over 1370 entries. An errata sheet for this work can be found at: http://www.tpdsci.com/Ref/Jonasz_M_2007_LightScatE.php *Extensive reference section provides handy compilations of knowledge on the designs of light scattering meters, sources of experimental data, and more *Worked exercises and examples throughout
Book Synopsis Molecular Structure and Statistical Thermodynamics by : Kenneth S. Pitzer
Download or read book Molecular Structure and Statistical Thermodynamics written by Kenneth S. Pitzer and published by World Scientific. This book was released on 1993 with total page 537 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book considers molecular structural information, statistical methods and thermodynamic measurements, and the ways in which the relative role of each differs from another. By putting together selected papers in a single publication, the book highlights the cohesive aspects of certain advances through time and development, and can aid historical studies. Several papers from journals not widely circulated can also be found in this selection of papers.
Book Synopsis Explicitly Correlated Wave Functions in Chemistry and Physics by : J. Rychlewski
Download or read book Explicitly Correlated Wave Functions in Chemistry and Physics written by J. Rychlewski and published by Springer Science & Business Media. This book was released on 2003-11-30 with total page 588 pages. Available in PDF, EPUB and Kindle. Book excerpt: Explicitly Correlated Wave Functions in Chemistry and Physics is the first book devoted entirely to explicitly correlated wave functions and their theory and applications in chemistry and molecular and atomic physics. Explicitly correlated wave functions are functions that depend explicitly on interelectronic distance. The book covers a wide range of methods based on explicitly correlated functions written by leaders in the field, including Kutzelnigg, Jeziorski, Szalewicz, Klopper and Noga. The book begins with a chapter on the theory of electron correlation and then the following three chapters describe different types of functions that can be used to solve the electronic Schrödinger equation for atoms and molecules. The book goes on to discuss the effects that go beyond the Born-Oppenheimer approximation, theory of relativistic effects, solution of the Dirac-Colomb equation, and relativistic correction using ECG functions. The last part of the book reviews applications of EC functions to calculate atomic and molecular properties and to study positronic systems, resonance states of atoms and nuclear dynamics of the hydrogen molecular ion.
Book Synopsis Periodic Table, The: Past, Present, And Future by : Geoff Rayner-canham
Download or read book Periodic Table, The: Past, Present, And Future written by Geoff Rayner-canham and published by World Scientific. This book was released on 2020-08-04 with total page 311 pages. Available in PDF, EPUB and Kindle. Book excerpt: 'This is an an absolutely wonderful book that is full of gems about the elements and the periodic table … All in all, the book is highly recommended to philosophers of chemistry. As philosophers we have a natural tendency to concentrate on generalities and not to get too involved in the specifics and the details. Above all else, this new book reminds us that such an approach needs to be tempered by a detailed knowledge of the exceptions and features that go against the simplified generalities which we so cherish.' [Read Full Review]Eric ScerriFoundations of Chemistry'Many questions are dealt with in a clearly written way in this stimulating and innovative book. The reader will quickly become interested in the subject and will be taken on tour through this Periodic Table in a very readable way, both for students and teachers … The number of illustrations is good, and clear. This book is indeed unique and quite thought-provoking … This book is highly recommended for students, teachers, researchers and not only chemists! Geologists, biochemist and also physicists will find it very interesting to read.' [Read Full Review]Chemistry InternationalThat fossilized chart on every classroom wall — isn't that The Periodic Table? Isn't that what Mendeléev devised about a century ago? No and No. There are many ways of organizing the chemical elements, some of which are thought-provoking, and which reveal philosophical challenges. Where does hydrogen 'belong'? Can an element occupy more than one location on the chart? Which are the Group 3 elements? Is aluminum in the wrong place? Why is silver(I) like thallium(I)? Why is vanadium like molybdenum? Why does gold form an auride ion like a halide ion? Does an atom 'know' if it is a non-metal or metal? Which elements are the 'metalloids'? Which are the triels? So many questions! In this stimulating and innovative book, the Reader will be taken on a voyage from the past to the present to the future of the Periodic Table. This book is unique. This book is readable. This book is thought-provoking. It is a multi-dimensional examination of patterns and trends among the chemical elements. Every reader will discover something about the chemical elements which will provoke thought and a new appreciation as to how the elements relate together.
