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Author: Pekka Pyykkö
Publisher: Springer Science & Business Media
ISBN: 364251488X
Category : Science
Languages : en
Pages : 486
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Book Description
Relativistic effects are of major importance for understan- ding the properties of heavier atoms and molecules. This book is still the only comprehensive bibliography on related calculations. The material is organized by subject into ta- bles containing a concise characterization. Together with Volume I (Lecture Notes in Chemistry Vol. 41, ISBN 3-540-17167-3) the literature until 1992 is now covered and 6577 references, with titles, are given in the two books. The book will provide aconvenient reference for theoretical chemists and atomic and molecular physicists interested in the properties of heavier elements. Contents: Introduction - One-particle problems - Quantum electrodynamical effects - Multielectron atoms: methods - Multielectron atoms: results - Symmetry - Molecular calcula- tions - Solid-state theory - Relativistic effects and heavy- element chemistry - Corrections to Volume I - Some comments on notations and terminology - List of acronyms and symbols - Bibliography.
Author: Pekka Pyykkö
Publisher: Springer Science & Business Media
ISBN: 364251488X
Category : Science
Languages : en
Pages : 486
Get Book Here
Book Description
Relativistic effects are of major importance for understan- ding the properties of heavier atoms and molecules. This book is still the only comprehensive bibliography on related calculations. The material is organized by subject into ta- bles containing a concise characterization. Together with Volume I (Lecture Notes in Chemistry Vol. 41, ISBN 3-540-17167-3) the literature until 1992 is now covered and 6577 references, with titles, are given in the two books. The book will provide aconvenient reference for theoretical chemists and atomic and molecular physicists interested in the properties of heavier elements. Contents: Introduction - One-particle problems - Quantum electrodynamical effects - Multielectron atoms: methods - Multielectron atoms: results - Symmetry - Molecular calcula- tions - Solid-state theory - Relativistic effects and heavy- element chemistry - Corrections to Volume I - Some comments on notations and terminology - List of acronyms and symbols - Bibliography.
Author: Ian P Grant
Publisher: Springer Science & Business Media
ISBN: 0387350691
Category : Science
Languages : en
Pages : 813
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Book Description
This book is intended for physicists and chemists who need to understand the theory of atomic and molecular structure and processes, and who wish to apply the theory to practical problems. As far as practicable, the book provides a self-contained account of the theory of relativistic atomic and molecular structure, based on the accepted formalism of bound-state Quantum Electrodynamics. The author was elected a Fellow of the Royal Society of London in 1992.
Author: Stephen Wilson
Publisher: Springer Science & Business Media
ISBN: 1461537029
Category : Science
Languages : en
Pages : 341
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Book Description
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.
Author: Pekka Pyykkö
Publisher: Springer Science & Business Media
ISBN: 3642933459
Category : Science
Languages : en
Pages : 394
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Book Description
Author: Markus Reiher
Publisher: John Wiley & Sons
ISBN: 3527627499
Category : Science
Languages : en
Pages : 692
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Book Description
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.
Author: Derrick S.F. Crothers
Publisher: Springer Science & Business Media
ISBN: 9780306464249
Category : Science
Languages : en
Pages : 328
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Book Description
If a heavy particle ion (atom, molecule, muon) collides with another in the gas phase at speeds approaching the speed of light, the time-dependent Dirac equation equation must be used for its description, including quantum electro-dynamic, special relativity and magnetic coupling effects. In this book we study one electron in the variety of rearrangement collisions: radiative and non-radiative capture, ionization, capture by pair (one electron, one positron) production and antihydrogen production. Our relativistic continuum distorted-wave theory accounts extremely well for the simultaneous behaviour of the electron with respect to the nuclear charges of the projectile and the target. This is the first book developed in this subject. Containing many diagrams and tables, and fully referenced, it goes beyond chapters in previous books. The relativistic continuum distorted-wave theory developed by the authors group, is shown to be fully Hermitean. Detailed mathematics are provided in nine appendices.
Author: Krishnan Balasubramanian
Publisher: Wiley-Interscience
ISBN:
Category : Science
Languages : en
Pages : 326
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Book Description
"Pecial Relativity. Relativistic Quantum Mechanics. Relativistic Quantum Chemistry. Double-Group Symmetry and the Classification of Relativistic Electronic States. Index.
Author: Pekka Pyykkö
Publisher: Springer Science & Business Media
ISBN: 3642518850
Category : Science
Languages : en
Pages : 362
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Book Description
Relativistic effects are of major importance for understanding the properties of heavier atoms and molecules. Volumes I-III of Relativistic Theory of Atoms and Molecules constitute the only available bibliography on related calculations. In Volume III, 3792 new references covering 1993-1999 are added to the database. The material is characterized by an analysis of the respective papers. The volume gives the user a comprehensive bibliography on relativistic atomic and molecular calculations, including studies on the Dirac equation and related solid-state work.
Author: R. Carbo-Dorca
Publisher: Springer Science & Business Media
ISBN: 3642572731
Category : Science
Languages : en
Pages : 138
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Book Description
The authors introduce the concept of Molecular Quantum Similarity, developed in their laboratory, in a didactic form. The basis of the concept combines quantum theoretical calculations with molecular structure and properties even for large molecules. They give definitions and procedures to compute similarities molecules and provide graphical tools for visualization of sets of molecules as n-dimensional point charts.
Author: Alexander F. Sax
Publisher: Springer Science & Business Media
ISBN: 3642468799
Category : Science
Languages : en
Pages : 242
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Book Description
Potential Energy Surfaces is a collection of lectures given at the 1996 Mariapfarr Workshop in Theoretical Chemistry, organized by Alexander F. Sax. The Mariapfarr Workshops' aim is to discuss in-depth topics in Theoretical Chemistry. The target group of these workshops is graduate students and postdocs.
