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Author : Hugh P. Kelly
Publisher : AIP Conference Proceedings (Nu
ISBN 13 :
Total Pages : 360 pages
Book Rating : 4.:/5 (42 download)
Download or read book Relativistic and QED Effects in Heavy Atoms written by Hugh P. Kelly and published by AIP Conference Proceedings (Nu. This book was released on 1985 with total page 360 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Hugh P. Kelly
Publisher :
ISBN 13 :
Total Pages : 338 pages
Book Rating : 4.:/5 (133 download)
Download or read book Atomic Theory Workshop on Relativistic and QED Effects in Heavy Atoms written by Hugh P. Kelly and published by . This book was released on 1985 with total page 338 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : G.L. Malli
Publisher : Springer Science & Business Media
ISBN 13 : 1461335965
Total Pages : 539 pages
Book Rating : 4.4/5 (613 download)
Download or read book Relativistic Effects in Atoms, Molecules, and Solids written by G.L. Malli and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 539 pages. Available in PDF, EPUB and Kindle. Book excerpt: The NATO Advanced Study Institute (ASI) on "Relativistic Effects in Atoms, Molecules and Solids" cosponsored by Simon Fraser University (SFU) and Natural Sciences and Engineering Research Council of Canada (NSERC) was held at the University of British Columbia (UBC) , Van couver, Canada from August 10th until August 21st, 1981. A total of 77 lecturers and students with diverse backgrounds in Chemistry, Physics, Mathematics and various interdisciplinary subjects attended the ASI. In the proposal submitted to NATO for financial support for this ASI, it was suggested that recent impressive experimental developments coupled with the availability of sophisticated computer technology for detailed investigation of the relativistic structure of atoms, molecules and solids would provide an excellent testing ground for the validity and accuracy of the theoretical treatment of the rela tivistic many-electron systems involving medium and heavy atoms. Such systems are also of interest to the current energy crisis because of their usage for photovoltaic devices, nuclear fuels (UF6), fusion lasers (Xe*2)' catalysts for solar energy conversion, etc.
Author : Stephen Wilson
Publisher : Springer Science & Business Media
ISBN 13 : 1461537029
Total Pages : 341 pages
Book Rating : 4.4/5 (615 download)
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.
Author : Bernd A. Hess
Publisher : John Wiley & Sons
ISBN 13 :
Total Pages : 336 pages
Book Rating : 4.3/5 (91 download)
Download or read book Relativistic Effects in Heavy-Element Chemistry and Physics written by Bernd A. Hess and published by John Wiley & Sons. This book was released on 2003-01-06 with total page 336 pages. Available in PDF, EPUB and Kindle. Book excerpt: Heavy atoms and their compounds are important in many areas of modern technology. Their versatility in the reactions they undergo is the reason that they can be found in most homogeneous and heterogeneous catalysts. Their magnetism is the decisive property that qualifies them as materials for modern storage devices. The phenomena observed in compounds of heavy atoms such as phosphorescence, magnetism or the tendency for high valency in chemical reactions can to a large extent be traced back to relativistic effects in their electronic structure. Thus, in many respects relativistic effects dominate the physics and chemistry of heavy atoms and their compounds. Chemists are usually aware of these phenomena. However, the theory behind them is not part of the standard chemistry curriculum and thus not widely known among experimentalists. Whilst the relativistic quantum theory of electronic structure is well established in physics, applications of the theory to chemical systems and materials have been feasible only in the last decade and their practical applications in connection with chemical experiment is somewhat out of sight of modern theoretical physics. Relativistic Effects in Heavy Element Chemistry and Physics intends to bridge the gap between chemistry and physics on the one hand and theory and experiment on the other. Topics covered include: - A broad range from quantum electrodynamics to the phenomenology of the compounds of heavy and superheavy elements; - A state-of-the-art survey of the most important theoretical developments and applications in the field of relativistic effects in heavy-element chemistry and physics in the last decade; - Special emphasis on the work of researchers in Europe and Germany in the framework of research programmes of the European Science Foundation and the German Science Foundation.
Author : Pekka Pyykkö
Publisher : Springer Science & Business Media
ISBN 13 : 364251488X
Total Pages : 486 pages
Book Rating : 4.6/5 (425 download)
Download or read book Relativistic Theory of Atoms and Molecules II written by Pekka Pyykkö and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 486 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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 :
Publisher : Elsevier
ISBN 13 : 0080540473
Total Pages : 805 pages
Book Rating : 4.0/5 (85 download)
Download or read book Relativistic Electronic Structure Theory written by and published by Elsevier. This book was released on 2004-03-05 with total page 805 pages. Available in PDF, EPUB and Kindle. Book excerpt: The field of relativistic electronic structure theory is generally not part of theoretical chemistry education, and is therefore not covered in most quantum chemistry textbooks. This is due to the fact that only in the last two decades have we learned about the importance of relativistic effects in the chemistry of heavy and superheavy elements. Developments in computer hardware together with sophisticated computer algorithms make it now possible to perform four-component relativistic calculations for larger molecules. Two-component and scalar all-electron relativistic schemes are also becoming part of standard ab-initio and density functional program packages for molecules and the solid state. The second volume of this two-part book series is therefore devoted to applications in this area of quantum chemistry and physics of atoms, molecules and the solid state. Part 1 was devoted to fundamental aspects of relativistic electronic structure theory whereas Part 2 covers more of the applications side. This volume opens with a section on the Chemistry of the Superheavy Elements and contains chapters dealing with Accurate Relativistic Fock-Space Calculations for Many-Electron Atoms, Accurate Relativistic Calculations Including QED, Parity-Violation Effects in Molecules, Accurate Determination of Electric Field Gradients for Heavy Atoms and Molecules, Two-Component Relativistic Effective Core Potential Calculations for Molecules, Relativistic Ab-Initio Model Potential Calculations for Molecules and Embedded Clusters, Relativistic Pseudopotential Calculations for Electronic Excited States, Relativistic Effects on NMR Chemical Shifts, Relativistic Density Functional Calculations on Small Molecules, Quantum Chemistry with the Douglas-Kroll-Hess Approach to Relativistic Density Functional Theory, and Relativistic Solid State Calculations. - Comprehensive publication which focuses on new developments in relativistic quantum electronic structure theory- Many leaders from the field of theoretical chemistry have contributed to the TCC series- Will no doubt become a standard text for scientists in this field.
Author : Pekka Pyykkö
Publisher : Springer Science & Business Media
ISBN 13 : 3642933459
Total Pages : 394 pages
Book Rating : 4.6/5 (429 download)
Download or read book Relativistic Theory of Atoms and Molecules written by Pekka Pyykkö and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 394 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : U. Kaldor
Publisher : Springer Science & Business Media
ISBN 13 : 9401701059
Total Pages : 580 pages
Book Rating : 4.4/5 (17 download)
Download or read book Theoretical Chemistry and Physics of Heavy and Superheavy Elements written by U. Kaldor and published by Springer Science & Business Media. This book was released on 2013-06-29 with total page 580 pages. Available in PDF, EPUB and Kindle. Book excerpt: Quantum mechanics provides the fundamental theoretical apparatus for describing the structure and properties of atoms and molecules in terms of the behaviour of their fundamental components, electrons and nudeL For heavy atoms and molecules containing them, the electrons can move at speeds which represent a substantial fraction of the speed of light, and thus relativity must be taken into account. Relativistic quantum mechanics therefore provides the basic formalism for calculating the properties of heavy-atom systems. The purpose of this book is to provide a detailed description of the application of relativistic quantum mechanics to the many-body prob lem in the theoretical chemistry and physics of heavy and superheavy elements. Recent years have witnessed a continued and growing interest in relativistic quantum chemical methods and the associated computa tional algorithms which facilitate their application. This interest is fu elled by the need to develop robust, yet efficient theoretical approaches, together with efficient algorithms, which can be applied to atoms in the lower part of the Periodic Table and, more particularly, molecules and molecular entities containing such atoms. Such relativistic theories and computational algorithms are an essential ingredient for the description of heavy element chemistry, becoming even more important in the case of superheavy elements. They are destined to become an indispensable tool in the quantum chemist's armoury. Indeed, since relativity influences the structure of every atom in the Periodic Table, relativistic molecular structure methods may replace in many applications the non-relativistic techniques widely used in contemporary research.
Author : Ian P Grant
Publisher : Springer Science & Business Media
ISBN 13 : 0387350691
Total Pages : 813 pages
Book Rating : 4.3/5 (873 download)
Download or read book Relativistic Quantum Theory of Atoms and Molecules written by Ian P Grant and published by Springer Science & Business Media. This book was released on 2007-04-15 with total page 813 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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 : Maria Barysz
Publisher : Springer Science & Business Media
ISBN 13 : 1402099754
Total Pages : 622 pages
Book Rating : 4.4/5 (2 download)
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.
Author : Kimihiko Hirao
Publisher : World Scientific
ISBN 13 : 9814483540
Total Pages : 343 pages
Book Rating : 4.8/5 (144 download)
Download or read book Recent Advances In Relativistic Molecular Theory written by Kimihiko Hirao and published by World Scientific. This book was released on 2004-01-20 with total page 343 pages. Available in PDF, EPUB and Kindle. Book excerpt: Relativistic effects, though minor in light atoms, increase rapidly in magnitude as the atomic number increases. For heavy atom species, it becomes necessary to discard the Schrödinger equation in favor of the Dirac equation. Construction of an effective many-body Hamiltonian that accurately accounts for both relativistic and electron correlation effects in many-electron systems is a challenge. It is only in the past 20-25 years that relativistic quantum chemistry has emerged as a field of research in its own right, and it seems certain that relativistic many-electron calculations of molecular properties will assume increasing importance in the years ahead as relativistic quantum chemistry finds a wider range of applications.With the increasing use of relativistic quantum chemical techniques in chemistry, there is an obvious need to provide experts' reviews of the methods and algorithms. This volume aims to disseminate aspects of relativistic many-electron theories and their exciting developments by practitioners. Together, the nine chapters provide an in-depth account of the most important topics of contemporary research in relativistic quantum chemistry, ranging from quasirelativistic effective core potential methods to relativistic coupled cluster theory.
Author : Jean P. Briand
Publisher : Springer Science & Business Media
ISBN 13 : 1475793375
Total Pages : 432 pages
Book Rating : 4.4/5 (757 download)
Download or read book Atoms in Unusual Situations written by Jean P. Briand and published by Springer Science & Business Media. This book was released on 2013-11-11 with total page 432 pages. Available in PDF, EPUB and Kindle. Book excerpt: Atomic Physics is certainly the oldest field in which Quantum Mechanics has been used and has provided the most significant proofs of this new theory. Most of the basic concepts, except those more recently developed in field quantization, have been understood for quite a time. Atomic Physics began to serve as a basis for other fields such as molecu lar, solid state or nuclear physics. A renewal of interest in Atomic Physics began in the sixties, after the discovery of Quantum Electro dynamics, and later when it provided some basic tests of fundamental questions like parity violation, time reversal or Dirac theory. More recently the development of new technologies led to the ex ploration of very extreme cases in which the most secrete aspects of atoms have been observed. - Rydberg states where the atoms are so big that they can be described by classical theories; - Heavy or super-heavy ions or exotic atoms where unknown QED or relativistic effects can be observed (very heavy hydrogenlike or helium like ions, positron production in very violent collisions ••. ); - Huge external perturbations as those appearing in super-dense plasmas or ultra-high fields. The aim of this school was to gather atomic physicists from all over the world working in all these areas of Atomic Physics.
Author : Kenneth G. Dyall
Publisher : Oxford University Press
ISBN 13 : 0190286377
Total Pages : 544 pages
Book Rating : 4.1/5 (92 download)
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.
Author : Peter Schwerdtfeger
Publisher :
ISBN 13 :
Total Pages : 880 pages
Book Rating : 4.3/5 (91 download)
Download or read book Relativistic Electronic Structure Theory: Applications written by Peter Schwerdtfeger and published by . This book was released on 2004 with total page 880 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume opens with a section on the Chemistry of the Superheavy Elements and contains chapters dealing with Accurate Relativistic Fock-Space Calculations for Many-Electron Atoms, Accurate Relativistic Calculations Including QED, Parity-Violation Effects in Molecules, Accurate Determination of Electric Field Gradients for Heavy Atoms and Molecules, Two-Component Relativistic Effective Core Potential Calculations for Molecules, Relativistic Ab-Initio Model Potential Calculations for Molecules and Embedded Clusters, Relativistic Pseudopotential Calculations for Electronic Excited States, Relativistic Effects on NMR Chemical Shifts, Relativistic Density Functional Calculations on Small Molecules, Quantum Chemistry with the Douglas-Kroll-Hess Approach to Relativistic Density Functional Theory, and Relativistic Solid State Calculations.
Author : Pekka Pyykkö
Publisher : Springer
ISBN 13 : 9783540572190
Total Pages : 494 pages
Book Rating : 4.5/5 (721 download)
Download or read book Relativistic Theory of Atoms and Molecules II written by Pekka Pyykkö and published by Springer. This book was released on 1993-11-03 with total page 494 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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 : Richard Marrus
Publisher : Springer Science & Business Media
ISBN 13 : 146130833X
Total Pages : 474 pages
Book Rating : 4.4/5 (613 download)
Download or read book Physics of Highly-Ionized Atoms written by Richard Marrus and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 474 pages. Available in PDF, EPUB and Kindle. Book excerpt: The progress in the physics of highly-ionized atoms since the last NATO sponsored ASI on this subject in 1982 has been enormous. New accelerator facilities capable of extending the range of highly-ionized ions to very high-Z have come on line or are about to be completed. We note particularly the GANIL accelerator in Caen, France, the Michigan State Superconducting Cyclotrons in East Lansing both of which are currently operating and the SIS Accelerator in Darmstadt, FRG which is scheduled to accelerate beam in late 1989. Progress i~ low-energy ion production has been equally dramatic. The Lawrence Livermore Lab EBIT device has produced neon-like gold and there has been continued improvement in ECR and EBIS sources. The scientific developments in this field have kept pace with the technical developments. New theoretical methods for evaluating relativistic and QED effects have made possible highly-precise calcula tions of energy levels in one-and two-electron ions at high-Z. The calculations are based on the MCDF method and the variational method and will be subject to rigorous experimental tests. On the experimental side, precision x-ray and UV measurements have probed the Lamb shift in the one and two electron ions up to Z=36 with increasing precision.
