Introduction to Relativistic Quantum Chemistry

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Publisher : Oxford University Press
ISBN 13 : 0190286377
Total Pages : 544 pages
Book Rating : 4.1/5 (92 download)

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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.

Relativistic Theory of Atoms and Molecules

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Publisher : Springer Science & Business Media
ISBN 13 : 3642933459
Total Pages : 394 pages
Book Rating : 4.6/5 (429 download)

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Book Synopsis Relativistic Theory of Atoms and Molecules by : Pekka Pyykkö

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:

Frontiers in Quantum Systems in Chemistry and Physics

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Publisher : Springer Science & Business Media
ISBN 13 : 1402087071
Total Pages : 586 pages
Book Rating : 4.4/5 (2 download)

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Book Synopsis Frontiers in Quantum Systems in Chemistry and Physics by : P.J. Grout

Download or read book Frontiers in Quantum Systems in Chemistry and Physics written by P.J. Grout and published by Springer Science & Business Media. This book was released on 2008-09-12 with total page 586 pages. Available in PDF, EPUB and Kindle. Book excerpt: In this volume we have collected some of the contributions made to the Twelfth European Workshop on Quantum Systems in Chemistry and Physics (QSCP-XII) in 2007. The workshop was held at Royal Holloway College, the most westerly campusof the University of London,and situated just a stone’s throw from Windsor Great Park. The workshop, which ran from 30 August to 5 September, continued the series that was established by Roy McWeeny in April 1996 with a meeting held at San Miniato, near Pisa. The purpose of the QSCP workshops is to bring together, in an informal atmosphere and with the aim of fostering collaboration, those chemists and physicists who share a common ?eld of interest in the theory of the quantum many-body problem. Quantum mechanics provides a theoretical foundation for our understandingof the structure,propertiesanddynamicsof atoms, moleculesandthe solid state, in terms of their component particles: electrons and nuclei. The study of ‘Quantum Systems in Chemistry and Physics’ therefore underpins many of the emerging?elds in twenty-?rstcenturyscience andtechnology:nanostructure,smart materials, drug design – to name but a few. Members of the workshop were keen to discuss their research and engage in collaboration centred upon the development of fundamental and innovative theory which would lead to the exploration of new concepts. The proceedings of all of the workshops, which have been held annually since 1996, have been published both to disseminate the latest developments within the wider community and to stimulate further collaboration.

Relativistic Effects in Atoms, Molecules, and Solids

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Publisher : Springer Science & Business Media
ISBN 13 : 1461335965
Total Pages : 539 pages
Book Rating : 4.4/5 (613 download)

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Book Synopsis Relativistic Effects in Atoms, Molecules, and Solids by : G.L. Malli

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.

Physics of Highly-Ionized Atoms

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Publisher : Springer Science & Business Media
ISBN 13 : 146130833X
Total Pages : 474 pages
Book Rating : 4.4/5 (613 download)

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Book Synopsis Physics of Highly-Ionized Atoms by : Richard Marrus

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.

Relativistic and QED Effects in Heavy Atoms

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Author :
Publisher : AIP Conference Proceedings (Nu
ISBN 13 :
Total Pages : 360 pages
Book Rating : 4.:/5 (42 download)

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Book Synopsis Relativistic and QED Effects in Heavy Atoms by : Hugh P. Kelly

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:

Theoretical Chemistry and Physics of Heavy and Superheavy Elements

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Publisher : Springer Science & Business Media
ISBN 13 : 9401701059
Total Pages : 580 pages
Book Rating : 4.4/5 (17 download)

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Book Synopsis Theoretical Chemistry and Physics of Heavy and Superheavy Elements by : U. Kaldor

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.

Quantum Electrodynamics of Strong Fields

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Publisher : Springer Science & Business Media
ISBN 13 : 1489921397
Total Pages : 896 pages
Book Rating : 4.4/5 (899 download)

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Book Synopsis Quantum Electrodynamics of Strong Fields by : Greiner W. Hold

Download or read book Quantum Electrodynamics of Strong Fields written by Greiner W. Hold and published by Springer Science & Business Media. This book was released on 2013-06-29 with total page 896 pages. Available in PDF, EPUB and Kindle. Book excerpt: The NATO Advanced Study Institute on Quantum Electrodynamics of Strong Fields was held at Lahnstein on the Rhine from 15-26 June, 1981. The school was devoted to the advances, theoretical and exper imental, in the physics of strong fields made during the past decade. The topic of the first week was almost exclusively quantum electrodynamics, with discussions of symmetry breaking in the ground state, of the physics of heavy ion collisions and of precision tests of perturbative quantum electrodynamics. This was followed in the second week by the presentation of a broad range of other areas where strong fields occur, reaching from nuclear physics over quantum chromodynamics to gravitation theory and astrophysics. We were fortunate to be able to call on a body of lecturers who not only have made considerable personal contributions to these advances but who are also noted for their lecturing skills. Their dedication for their subject was readily transmitted to the stu dents resulting in a very successful school. This enthusiasm is also reflected in their contributions to these Proceedings which, as I believe, will in time become a standard source of reference for future work on the physics of strong fields and will help to spread the benefits of the school to a larger audience than those who were able to attend. I regret that the Soviet colleagues Ya. B. Zeldovich and V. S. Popov were unable to participate.

Atomic Physics with Heavy Ions

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Publisher : Springer Science & Business Media
ISBN 13 : 9783540648758
Total Pages : 412 pages
Book Rating : 4.6/5 (487 download)

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Book Synopsis Atomic Physics with Heavy Ions by : Heinrich F. Beyer

Download or read book Atomic Physics with Heavy Ions written by Heinrich F. Beyer and published by Springer Science & Business Media. This book was released on 1999-04-15 with total page 412 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is devoted to one of the most active domains of atomic physic- atomic physics of heavy positive ions. During the last 30 years, this terrain has attracted enormous attention from both experimentalists and theoreti cians. On the one hand, this interest is stimulated by rapid progress in the development of laboratory ion sources, storage rings, ion traps and methods for ion cooling. In many laboratories, a considerable number of complex and accurate experiments have been initiated, challenging new frontiers. Highly charged ions are used for investigations related to fundamental research and to more applied fields such as controlled nuclear fusion driven by heavy ions and its diagnostics, ion-surface interaction, physics of hollow atoms, x-ray lasers, x-ray spectroscopy, spectrometry of ions in storage rings and ion traps, biology, and medical therapy. On the other hand, the new technologies have stimulated elaborate theo retical investigations, especially in developing QED theory, relativistic many body techniques, plasma-kinetic modeling based on the Coulomb interactions of highly charged ions with photons and various atomic particles - electrons, atoms, molecules and ions. The idea of assembling this book matured while the editors were writ ing another book, X-Ray Radiation of Highly Charged Ions by H. F. Beyer, H. -J. Kluge and V. P. Shevelko (Springer, Berlin, Heidelberg 1997) covering a broad range of x-ray and other radiative phenomena central to atomic physics with heavy ions.

Atomic, Molecular, and Optical Physics

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Publisher : National Academies Press
ISBN 13 : 0309035759
Total Pages : 201 pages
Book Rating : 4.3/5 (9 download)

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Book Synopsis Atomic, Molecular, and Optical Physics by : National Research Council

Download or read book Atomic, Molecular, and Optical Physics written by National Research Council and published by National Academies Press. This book was released on 1986-02-01 with total page 201 pages. Available in PDF, EPUB and Kindle. Book excerpt: The goals of atomic, molecular, and optical physics (AMO physics) are to elucidate the fundamental laws of physics, to understand the structure of matter and how matter evolves at the atomic and molecular levels, to understand light in all its manifestations, and to create new techniques and devices. AMO physics provides theoretical and experimental methods and essential data to neighboring areas of science such as chemistry, astrophysics, condensed-matter physics, plasma physics, surface science, biology, and medicine. It contributes to the national security system and to the nation's programs in fusion, directed energy, and materials research. Lasers and advanced technologies such as optical processing and laser isotope separation have been made possible by discoveries in AMO physics, and the research underlies new industries such as fiber-optics communications and laser-assisted manufacturing. These developments are expected to help the nation to maintain its industrial competitiveness and its military strength in the years to come. This report describes the field, characterizes recent advances, and identifies current frontiers of research.

Ideas of Quantum Chemistry

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Publisher : Elsevier
ISBN 13 : 0080466761
Total Pages : 1122 pages
Book Rating : 4.0/5 (84 download)

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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

Springer Handbook of Atomic, Molecular, and Optical Physics

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Publisher : Springer Nature
ISBN 13 : 3030738930
Total Pages : 1436 pages
Book Rating : 4.0/5 (37 download)

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Book Synopsis Springer Handbook of Atomic, Molecular, and Optical Physics by : Gordon W. F. Drake

Download or read book Springer Handbook of Atomic, Molecular, and Optical Physics written by Gordon W. F. Drake and published by Springer Nature. This book was released on 2023-02-09 with total page 1436 pages. Available in PDF, EPUB and Kindle. Book excerpt: Comprises a comprehensive reference source that unifies the entire fields of atomic molecular and optical (AMO) physics, assembling the principal ideas, techniques and results of the field. 92 chapters written by about 120 authors present the principal ideas, techniques and results of the field, together with a guide to the primary research literature (carefully edited to ensure a uniform coverage and style, with extensive cross-references). Along with a summary of key ideas, techniques, and results, many chapters offer diagrams of apparatus, graphs, and tables of data. From atomic spectroscopy to applications in comets, one finds contributions from over 100 authors, all leaders in their respective disciplines. Substantially updated and expanded since the original 1996 edition, it now contains several entirely new chapters covering current areas of great research interest that barely existed in 1996, such as Bose-Einstein condensation, quantum information, and cosmological variations of the fundamental constants. A fully-searchable CD- ROM version of the contents accompanies the handbook.

Long-Range Casimir Forces

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Publisher : Springer Science & Business Media
ISBN 13 : 1489912282
Total Pages : 369 pages
Book Rating : 4.4/5 (899 download)

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Book Synopsis Long-Range Casimir Forces by : Frank S. Levin

Download or read book Long-Range Casimir Forces written by Frank S. Levin and published by Springer Science & Business Media. This book was released on 2013-06-29 with total page 369 pages. Available in PDF, EPUB and Kindle. Book excerpt: This series, Finite Systems and Multiparticle Dynamics, is intended to provide timely reviews of current research topics, written in a style sufficiently pedagogic so as to allow a nonexpert to grasp the underlying ideas as well as understand technical details. The series is an outgrowth of our involvement with three interdis ciplinary activities, namely, those arising from the American Physical Society's Topical Group on Few Body Systems and Multiparticle Dynam ics, the series of Gordon Research Conferences first known by the title "Few Body Problems in Chemistry and Physics" and later renamed "Dynamics of Simple Systems in Chemistry and Physics," and the series of Sanibel Symposia, sponsored in part by the University of Florida. The vitality of these activities and the enthusiastic response to them by researchers in various subfields of physics and chemistry have convinced us that there is a place--even a need-for a series of timely reviews on topics of interest not only to a narrow band of experts but also to a broader, interdisciplinary readership. It is our hope that the emphasis on pedagogy will permit at least some of the books in the series to be useful in graduate-level courses. Rather than use the adjective "Few-Body" or "Simple" to modify the word "Systems" in the title, we have chosen "Finite. " It better expresses the wide range of systems with which the reviews of the series may deal.

Advances in Methods and Applications of Quantum Systems in Chemistry, Physics, and Biology

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Publisher : Springer Nature
ISBN 13 : 3031520785
Total Pages : 300 pages
Book Rating : 4.0/5 (315 download)

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Book Synopsis Advances in Methods and Applications of Quantum Systems in Chemistry, Physics, and Biology by : Ireneusz Grabowski

Download or read book Advances in Methods and Applications of Quantum Systems in Chemistry, Physics, and Biology written by Ireneusz Grabowski and published by Springer Nature. This book was released on with total page 300 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Atomic Physics of Highly Ionized Atoms

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Publisher : Springer Science & Business Media
ISBN 13 : 1461337186
Total Pages : 571 pages
Book Rating : 4.4/5 (613 download)

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Book Synopsis Atomic Physics of Highly Ionized Atoms by : Richard Marrus

Download or read book Atomic 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 571 pages. Available in PDF, EPUB and Kindle. Book excerpt: The last decade has seen dramatic progress in the development of devices for producing mu1ticharged ions. Indeed it is now pos sible to produce any charge state of any ion right up through 92 fully-stripped uranium (U +). Equally dramatic progress has been achieved in the energy range of the available ions. As an example, fully-stripped neon ions have been produced in useable quantities with kinetic energies ranging from a few ev to more than 20 Gev. Interest in the atomic physics of multicharged ions has grown apace. In the fusion program, the spectra of these ions is an im portant diagnostic tool. Moreover the presence of mu1ticharged ions presents a serious energy loss mechanism in fusion devices. This fact has motivated a program to study the collision mech anisms involved. In another area, mu1ticharged ions are present in the solar corona and the interstellar medium and knowledge of their collision properties and spectra is essential to understand ing the astrophysics. Other possible applications are to x-ray lasers and heavy ion inertial fusion. On a more fundamental level, new possibilities for testing quantum electrodynamics with mu1ti charged ions have emerged.

Materials and Molecular Research Division Annual Report

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Publisher :
ISBN 13 :
Total Pages : 340 pages
Book Rating : 4.3/5 (91 download)

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Book Synopsis Materials and Molecular Research Division Annual Report by : Lawrence Berkeley Laboratory. Materials and Molecular Research Division

Download or read book Materials and Molecular Research Division Annual Report written by Lawrence Berkeley Laboratory. Materials and Molecular Research Division and published by . This book was released on 1986 with total page 340 pages. Available in PDF, EPUB and Kindle. Book excerpt:

The Heaviest Metals

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Publisher : John Wiley & Sons
ISBN 13 : 1119304083
Total Pages : 550 pages
Book Rating : 4.1/5 (193 download)

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Book Synopsis The Heaviest Metals by : William J. Evans

Download or read book The Heaviest Metals written by William J. Evans and published by John Wiley & Sons. This book was released on 2019-01-08 with total page 550 pages. Available in PDF, EPUB and Kindle. Book excerpt: An authoritative survey of the science and advanced technological uses of the actinide and transactinide metals The Heaviest Metals offers an essential resource that covers the fundamentals of the chemical and physical properties of the heaviest metals as well as the most recent advances in their science and technology. The authors – noted experts in the field – offer an authoritative review of the actinide and transactinide elements, i.e., the elements from actinium to lawrencium as well as rutherfordium through organesson, the current end of the periodic table, element 118. The text explores the history of the metals, their occurrence and issues of production, and covers a broad range of chemical subjects including environmental concerns and remediation approaches. The authors also offer information on the most recent and emerging applications of the metals, such as in superconducting materials, catalysis, and research into medical diagnostics. This important resource: Provides an overview of the science and advanced technological uses of the actinide and transactinide metals Describes the basic chemical and physical properties of the heaviest metals, and discusses the challenges and opportunities for their technological applications Contains accessible information on the fundamental features of the heaviest metals, special requirements for their experimental study, and the critical role of computational characterization of their compounds Highlights the most current and emerging applications in areas such as superconducting materials, catalysis, nuclear forensics, and medicine Presents vital contemporary issues of the heaviest metals Written for graduate students and researchers working with the actinide and transactinide elements, industrial and academic inorganic and nuclear chemists, and engineers, The Heaviest Metals is a comprehensive volume that explores the fundamental chemistry and properties of the heaviest metals, and the challenges and opportunities associated with their present and emerging technological uses.