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Theoretical Chemistry And Physics Of Heavy And Superheavy Elements
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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.
Book Synopsis The Chemistry of Superheavy Elements by : Matthias Schädel
Download or read book The Chemistry of Superheavy Elements written by Matthias Schädel and published by Springer Science & Business Media. This book was released on 2013-11-30 with total page 521 pages. Available in PDF, EPUB and Kindle. Book excerpt: The second edition of "The Chemistry of the Superheavy Elements" provides a complete coverage of the chemistry of a series of elements beginning with atomic number 104 – the transactinides or superheavy elements – including their nuclear properties and production in nuclear reactions at heavy-ion accelerators. The contributors to this work include many renowned scientists who, during the last decades, have made vast contributions towards understanding the physics and chemistry of these elusive elements, both experimentally and theoretically. The main emphasis here is on demonstrating the fascinating studies involved in probing the architecture of the Periodic Table at its uppermost end, where relativistic effects drastically influence chemical properties. All known chemical properties of these elements are described together with the experimental techniques applied to study these short-lived man-made elements one atom-at-a-time. The status of theoretical chemistry and of empirical models is presented as well as aspects of nuclear physics. In addition, one chapter outlines the meanderings in this field from a historical perspective and the search for superheavy elements in Nature.
Book Synopsis The Chemistry of Superheavy Elements by : Matthias Schädel
Download or read book The Chemistry of Superheavy Elements written by Matthias Schädel and published by Springer Science & Business Media. This book was released on 2007-05-08 with total page 318 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is the first to treat the chemistry of superheavy elements, including important related nuclear aspects, as a self contained topic. It is written for those – students and novices -- who begin to work and those who are working in this fascinating and challenging field of the heaviest and superheavy elements, for their lecturers, their advisers and for the practicing scientists in the field – chemists and physicists - as the most complete source of reference about our today's knowledge of the chemistry of transactinides and superheavy elements. However, besides a number of very detailed discussions for the experts this book shall also provide interesting and easy to read material for teachers who are interested in this subject, for those chemists and physicists who are not experts in the field and for our interested fellow scientists in adjacent fields. Special emphasis is laid on an extensive coverage of the original literature in the reference part of each of the eight chapters to facilitate further and deeper studies of specific aspects. The index for each chapter should provide help to easily find a desired topic and to use this book as a convenient source to get fast access to a desired topic. Superheavy elements – chemical elements which are much heavier than those which we know of from our daily life – are a persistent dream in human minds and the kernel of science fiction literature for about a century.
Book Synopsis Relativistic Electronic Structure Theory by :
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 804 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.
Book Synopsis Relativistic Effects in Heavy-Element Chemistry and Physics by : Bernd A. Hess
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.
Book Synopsis Superheavy Elements, by : Krishna Kumar
Download or read book Superheavy Elements, written by Krishna Kumar and published by CRC Press. This book was released on 1989 with total page 176 pages. Available in PDF, EPUB and Kindle. Book excerpt: Provides a review of the experimental & theoretical investigations of superheavy elements, especially their nuclear aspects. Also presents many new theoretical aspects & predictions of the Dynamic Deformation Model, developed by the author. Specific heavy-ion fusion experiments, which may lead to the discovery of superheavy elements, are suggested.
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 Relativistic Electronic Structure Theory by :
Download or read book Relativistic Electronic Structure Theory written by and published by Elsevier Science. This book was released on 2004-03-19 with total page 804 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.
Book Synopsis Heavy Elements and Related New Phenomena by : Walter Greiner
Download or read book Heavy Elements and Related New Phenomena written by Walter Greiner and published by World Scientific. This book was released on 1999-06-17 with total page 1168 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book reviews recent developments in the field of superheavy elements and the related phenomena of fission, cluster radioactivity, and drip line physics. Both the experimental and theoretical aspects are dealt with in detail. For the production of new elements in the laboratory, the process of cold compound nucleus formation is found to be most favorable both theoretically and experimentally. However, experimentally, hot fusion of nuclei has also been used. Both the physical and chemical methods of synthesizing new elements are discussed. The theoretical approaches considered here are those of the quantum-mechanical fragmentation theory, the self-consistent Hartree–Fock theory, and the relativistic mean field theory. Fission, a process inverse to the fusion of two nuclei, is also observed to be most favourably a cold phenomenon. Other important results are bi-modal fission and high n-multiplicity fission, which leads to the hyperdeformed scission mode. Cluster radioactivity is discussed both as a heavy cluster emission process and as super-asymmetric fission. The theory as well as the present experimental status are reviewed. Physics at drip lines is interesting not only for their structural properties but also for their use in the fusion of two nuclei; both aspects are discussed. Contents:New Developments in the Study of Superheavy Elements:Discovery of the Heaviest Elements (G Münzenberg & S Hofmann)Chemical Properties of the Transactinide Elements (J V Kratz)Two-centre Shell Model in Cold Synthesis of Superheavy Elements (R K Gupta & W Greiner)New Developments in Fission Physics:Cold Fission (H-G Clerc)High Neutron Multiplicity and Cold Binary and Ternary Spontaneous Fission of 252Cf (A V Ramayya et al.)Quantum Mechanical Fragmentation Theory for Cold Distribution of Masses and Charges in Fissioning Nuclei and Nuclei Formed in Heavy Ion Reactions (R K Gupta & W Greiner)New Cluster Radioactivity and the Super-asymmetric Fission:Measurements on Cluster Radioactivity — Present Experimental Status (R Bonetti & A Guglielmetti)Numerical and Analytical Super-asymmetric Fission Model for Exotic Cluster Decays (D N Poenaru & W Greiner)Collective Description of Exotic Cluster Decays and Shell Structure Effects of Parent/Daughter Nuclei (R K Gupta)Extensions in New Directions: Nuclear Astrophysics, Physics of Nuclei Near Drip-lines and Strange Matter:Nuclear Astrophysics at the Beginning of the Twenty-first Century (R N Boyd)Two- and Three-Body Properties of Halo Nuclei (I J Thompson & J S Vaagen)Neutron Drip-line Nuclei: Their Halo Structure, Synthesis, and Decay via Cluster Emissions (R K Gupta et al.)and other papers Readership: Nuclear physicists. Keywords:Superheavy Elements;Cold Fusion Theory and Experiments;Cold Multinucleon Transfer;Hot Fusion;Chemical Properties;Cold Binary and Ternary Fission;Fusion-Fission;Cluster Radioactivity and Its Fine Structure;Drip-Lines;Halo Nuclei;Quantum Mechanical Fragmentation;Skyrme-Hartree-Fock and Relativistic Mean-Field Theories;Strange-Matter;Nuclear Astrophsics
Book Synopsis Advanced Topics in Theoretical Chemical Physics by : J. Maruani
Download or read book Advanced Topics in Theoretical Chemical Physics written by J. Maruani and published by Springer Science & Business Media. This book was released on 2013-11-27 with total page 521 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advanced Topics in Theoretical Chemical Physics is a collection of 20 selected papers from the scientific presentations of the Fourth Congress of the International Society for Theoretical Chemical Physics (ISTCP) held at Marly-le-Roi, France, in July 2002. Advanced Topics in Theoretical Chemical Physics encompasses a broad spectrum in which scientists place special emphasis on theoretical methods in chemistry and physics. The chapters in the book are divided into five sections: I: Advances Chemical Thermodynamics II: Electronic Structure of Molecular Systems III: Molecular Interaction and Dynamics IV: Condensed Matter V: Playing with Numbers This book is an invaluable resource for all academics and researchers interested in theoretical, quantum or statistical, chemical physics or physical chemistry. It presents a selection of some of the most advanced methods, results and insights in this exciting area.
Download or read book Chemical Elements written by and published by PediaPress. This book was released on with total page 1831 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Superheavy Elements by : M. A. K. Lodhi
Download or read book Superheavy Elements written by M. A. K. Lodhi and published by Elsevier. This book was released on 2013-10-22 with total page 604 pages. Available in PDF, EPUB and Kindle. Book excerpt: Superheavy Elements covers the proceedings of the International Symposium on Superheavy Elements, held in Lubbock, Texas on March 9-11, 1978. The book focuses on the compositions, reactions, transformations, and methodologies involved in the research on superheavy elements (SHE). The selection first gives an overview of the history and perspectives of the search for SHE; attempts to produce SHE in reactions between heavy nuclei; and searches for SHE at the superhilac. The publication also examines the experimental prospects for the synthesis and detection of SHE, including alternate production modes for SHE and detection methods in the search for SHE. The book looks at the experimental insights into the production of SHE using heavy ion reactions and observations of anomalous long-range alpha particles and their potential connection to superheavy matter. The publication also reviews the calculations for penetrability and the predictions of the spontaneous fission half-lives of SHE; feasibility studies of thermonuclear neutron capture synthesis of SHE; muonic transitions and X-ray spectra from SHE. Topics include transition energy and potential and quantum-electrodynamical corrections. The text is a dependable source of data for readers interested in superheavy elements.
Book Synopsis Recent Progress in Coupled Cluster Methods by : Petr Cársky
Download or read book Recent Progress in Coupled Cluster Methods written by Petr Cársky and published by Springer Science & Business Media. This book was released on 2010-07-03 with total page 672 pages. Available in PDF, EPUB and Kindle. Book excerpt: I feel very honored that I have been asked to write a Foreword to this book. The subject of the book – “Coupled cluster theory” – has been around for about half a century. The basic theory and explicit equations for closed-shell ground states were formulated before 1970. At the beginning of the seventies the rst ab initio calcu- tion were carried out. At that time speed and memory of computers were very limited compared to today’s standards. Moreover, the size of one-electron bases employed was small, so that it was only possible to achieve an orientation in methodical aspects rather than to generate new signi cant results. Extensive use of the coupled-cluster method started at the beginning of the eighties. With the help of more powerful computers the results of coupled-cluster approaches started to yield more and more interesting results of relevance to the interpretation of experimental data. New ideas in methodology kept appearing and computer codes became more and more ef cient. This exciting situation continues to this very day. Remarkably enough, even the - quired equations can now be generated by a computer with the help of symbolic languages. The size of this monograph and the rich variety of articles it contains attests to the usefulness and viability of the couple-cluster formalism for the h- dling of many-electron correlation effects. This represents a vivid testimony of a tremendous work that has been accomplished in coupled-cluster methodology and its exploitation.
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 2013-03-14 with total page 573 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 Practical Aspects of Computational Chemistry I by : Jerzy Leszczynski
Download or read book Practical Aspects of Computational Chemistry I written by Jerzy Leszczynski and published by Springer Science & Business Media. This book was released on 2012-01-02 with total page 687 pages. Available in PDF, EPUB and Kindle. Book excerpt: Practical Aspects of Computational Chemistry I: An Overview of the Last Two Decades and Current Trends gathers the advances made within the last 20 years by well-known experts in the area of theoretical and computational chemistry and physics. The title itself reflects the celebration of the twentieth anniversary of the “Conference on Current Trends in Computational Chemistry (CCTCC)” to which all authors have participated and contributed to its success. This volume poses (and answers) important questions of interest to the computational chemistry community and beyond. What is the historical background of the “Structural Chemistry”? Is there any way to avoid the problem of intruder state in the multi-reference formulation? What is the recent progress on multi-reference coupled cluster theory? Starting with a historical account of structural chemistry, the book focuses on the recent advances made in promising theories such as many body Brillouin-Wigner theory, multireference state-specific coupled cluster theory, relativistic effect in chemistry, linear and nonlinear optical properties of molecules, solution to Kohn-Sham problem, electronic structure of solid state materials, development of model core potential, quantum Monte Carlo method, nano and molecular electronics, dynamics of photodimerization and excited states, intermolecular interactions, hydrogen bonding and non-hydrogen bonding interactions, conformational flexibility, metal cations in zeolite catalyst and interaction of nucleic acid bases with minerals. Practical Aspects of Computational Chemistry I: An Overview of the Last Two Decades and Current Trends is aimed at theoretical and computational chemists, physical chemists, materials scientists, and particularly those who are eager to apply computational chemistry methods to problem of chemical and physical importance. This book will provide valuable information to undergraduate, graduate, and PhD students as well as to established researchers.
Book Synopsis Trends and Perspectives in Modern Computational Science by : George Maroulis
Download or read book Trends and Perspectives in Modern Computational Science written by George Maroulis and published by CRC Press. This book was released on 2006-10-27 with total page 600 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume contains a collection of the lectures of the invited speakers and symposium organizers presented at the International Conference of Computational methods in Science and Engineering (ICCMSE 2006), held in Chania, Greece, October 2006. The content of the papers bears upon new developments of Computational Science pertinent to Physics, Chemistry, Biology, Medicine, Mathematics and Engineering. Molecular Science is a privileged ground for the application and evaluation of new mathematical tools and computational methods. In recent years, novelty and progress with greatest conceivable speed is common experience. This flavor of research findings carrying many consequences for distant fields is easily evidenced in the lectures collected in this volume.
Book Synopsis Topics in the Theory of Chemical and Physical Systems by : Jean Maruani
Download or read book Topics in the Theory of Chemical and Physical Systems written by Jean Maruani and published by Springer Science & Business Media. This book was released on 2007-04-03 with total page 301 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume contains a selection of papers presented at the 10th European Workshop on Quantum Systems in Chemistry and Physics, held in Tunisia, from September 1st to 7th, 2005. The workshop’s aim was to bring together chemists and physicists with a common interest in the quantum-mechanical many-body problem. The volume offers unique insights into the fields of quantum chemical methods, molecular structure and spectroscopy, complexes and clusters.
