Modern Electronic Structure Theory (In 2 Parts) - Part 1 PDF Download
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Author: David R Yarkony
Publisher: World Scientific
ISBN: 9814504440
Category : Science
Languages : en
Pages : 766
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Book Description
Modern Electronic Structure Theory provides a didactically oriented description of the latest computational techniques in electronic structure theory and their impact in several areas of chemistry. The book is aimed at first year graduate students or college seniors considering graduate study in computational chemistry, or researchers who wish to acquire a wider knowledge of this field.
Author: David R Yarkony
Publisher: World Scientific
ISBN: 9814504440
Category : Science
Languages : en
Pages : 766
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Book Description
Modern Electronic Structure Theory provides a didactically oriented description of the latest computational techniques in electronic structure theory and their impact in several areas of chemistry. The book is aimed at first year graduate students or college seniors considering graduate study in computational chemistry, or researchers who wish to acquire a wider knowledge of this field.
Author: David R Yarkony
Publisher: World Scientific
ISBN: 9814504459
Category : Science
Languages : en
Pages : 785
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Book Description
Modern Electronic Structure Theory provides a didactically oriented description of the latest computational techniques in electronic structure theory and their impact in several areas of chemistry. The book is aimed at first year graduate students or college seniors considering graduate study in computational chemistry, or researchers who wish to acquire a wider knowledge of this field.
Author: David Yarkony
Publisher: World Scientific
ISBN: 9789810229887
Category : Science
Languages : en
Pages : 788
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Book Description
Modern Electronic Structure Theory provides a didactically oriented description of the latest computational techniques in electronic structure theory and their impact in several areas of chemistry. The book is aimed at first year graduate students or college seniors considering graduate study in computational chemistry, or researchers who wish to acquire a wider knowledge of this field.
Author: Ernest R. Davidson
Publisher: World Scientific
ISBN: 9789810231682
Category : Science
Languages : en
Pages : 396
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Book Description
This volume focuses on the use of quantum theory to understand and explain experiments in organic chemistry. High level ab initio calculations, when properly performed, are useful in making quantitative distinctions between various possible interpretations of structures, reactions and spectra. Chemical reasoning based on simpler quantum models is, however, essential to enumerating the likely possibilities. The simpler models also often suggest the type of wave function likely to be involved in ground and excited states at various points along reaction paths. This preliminary understanding is needed in order to select the appropriate higher level approach since most higher level models are designed to describe improvements to some reasonable zeroth order wave function. Consequently, most of the chapters in this volume begin with experimental facts and model functions and then progress to higher level theory only when quantitative results are required.In the first chapter, Zimmerman discusses a wide variety of thermal and photochemical reactions of organic molecules. Gronert discusses the use of ab initio calculations and experimental facts in deciphering the mechanism of ?-elimination reactions in the gas phase. Bettinger et al focus on carbene structures and reactions with comparison of the triplet and singlet states. Next, Hrovat and Borden discuss more general molecules with competitive triplet and singlet contenders for the ground state structure. Cave explains the difficulties and considerations involved with many of the methods and illustrates the difficulties by comparing with the UV spectra of short polyenes. Jordan et al discuss long-range electron transfer using model compounds and model Hamiltonians. Finally, Hiberty discusses the breathing orbital valence bond model as a different approach to introducing the crucial åã correlation that is known to be important in organic reactions.
Author:
Publisher: Elsevier
ISBN: 0080540465
Category : Science
Languages : en
Pages : 947
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Book Description
The first volume of this two part series is concerned with the fundamental aspects of relativistic quantum theory, outlining the enormous progress made in the last twenty years in this field. The aim was to create a book such that researchers who become interested in this exciting new field find it useful as a textbook, and do not have to rely on a rather large number of specialized papers published in this area.·No title is currently available that deals with new developments in relativistic quantum electronic structure theory·Interesting and relevant to graduate students in chemistry and physics as well as to all researchers in the field of quantum chemistry·As treatment of heavy elements becomes more important, there will be a constant demand for this title
Author: Sergei Kruchinin
Publisher: World Scientific
ISBN: 9811234531
Category : Technology & Engineering
Languages : en
Pages : 306
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Book Description
This book is devoted to superconductivity, which is one of the most interesting problems in physics. In accordance with the outline of the book, it treats the key problems in the field of superconductivity, in particular, it discusses the mechanism(s) of superconductivity. This book is useful for researchers and graduate students in the fields of solid state physics, quantum field theory, and many-body theory.
Author: Clifford Dykstra
Publisher: Elsevier
ISBN: 0080456243
Category : Science
Languages : en
Pages : 1336
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Book Description
Computational chemistry is a means of applying theoretical ideas using computers and a set of techniques for investigating chemical problems within which common questions vary from molecular geometry to the physical properties of substances. Theory and Applications of Computational Chemistry: The First Forty Years is a collection of articles on the emergence of computational chemistry. It shows the enormous breadth of theoretical and computational chemistry today and establishes how theory and computation have become increasingly linked as methodologies and technologies have advanced. Written by the pioneers in the field, the book presents historical perspectives and insights into the subject, and addresses new and current methods, as well as problems and applications in theoretical and computational chemistry. Easy to read and packed with personal insights, technical and classical information, this book provides the perfect introduction for graduate students beginning research in this area. It also provides very readable and useful reviews for theoretical chemists.* Written by well-known leading experts * Combines history, personal accounts, and theory to explain much of the field of theoretical and compuational chemistry* Is the perfect introduction to the field
Author: Attila Szabo
Publisher: Courier Corporation
ISBN: 0486134598
Category : Science
Languages : en
Pages : 484
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Book Description
This graduate-level text explains the modern in-depth approaches to the calculation of electronic structure and the properties of molecules. Largely self-contained, it features more than 150 exercises. 1989 edition.
Author: A.K Zvezdin
Publisher: CRC Press
ISBN: 9781420050844
Category : Technology & Engineering
Languages : en
Pages : 414
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Book Description
Modern Magnetooptics and Magnetooptical Materials provides a comprehensive account of the principles and applications of magnetooptics, bridging the gap between textbooks and specialist accounts in the research and review literature. The book is aimed at the graduate physicist and electrical engineer, but assumes no specialist knowledge of magnetooptics. Chapters have been designed to be reasonably independent, so that readers in search of information on a particular topic can go straight to the appropriate place in the book, with only occasional reference to material elsewhere. Divided into three main parts, the book begins with the principles of magnetooptics to provide the necessary theoretical background. This section's emphasis is on introducing practical considerations through examples taken from real-life situations. The next part surveys a wide range of magnetooptic materials, including metals, alloys, and granular structures. The final part explores applications of magnetooptics in practical devices, such as modulators, switches, memory devices, and waveguides. This book provides a thorough introduction for graduate students of physics and electrical engineering, and a useful reference for researchers.
Author: John Clarke Slater
Publisher:
ISBN:
Category : Molecules
Languages : en
Pages : 512
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Book Description
