[PDF] Clusters Of Atoms And Molecules eBook

Author : Hellmut Haberland
Publisher : Springer Science & Business Media
Page : 435 pages
File Size : 15,54 MB
Release : 2013-11-11
Category : Science
ISBN : 3642843298

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Clusters of Atoms and Molecules I is devoted to theoretical concepts and experimental techniques important in the rapidly expanding field of cluster science. Cluster properties are dicussed for clusters composed of alkali metals, semiconductors, transition metals, carbon, oxides and halides of alkali metals, rare gases, and neutral molecules. The book contains several well-integrated treatments, all prepared by experts. Each contribution starts out as simple as possible and ends with the latest results, so that the book can serve as a text for a course, an introduction into the field, or as a reference book for the expert.

Author : George Maroulis
Publisher : Imperial College Press
Page : 694 pages
File Size : 48,27 MB
Release : 2006
Category : Technology & Engineering
ISBN : 1860948863

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With the central importance of electric polarizability and hyperpolarizability for a wide spectrum of activities, this book charts the trends in the accurate theoretical determination of these properties in specialized fields. The contributions include reviews and original papers that extend from methodology to applications in specific areas of primary importance such as cluster science and organic synthesis of molecules with specific properties.

Author : Jochen Schirmer
Publisher : Springer
Page : 330 pages
File Size : 15,69 MB
Release : 2018-11-02
Category : Science
ISBN : 3319936026

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This book provides an introduction to many-body methods for applications in quantum chemistry. These methods, originating in field-theory, offer an alternative to conventional quantum-chemical approaches to the treatment of the many-electron problem in molecules. Starting with a general introduction to the atomic and molecular many-electron problem, the book then develops a stringent formalism of field-theoretical many-body theory, culminating in the diagrammatic perturbation expansions of many-body Green's functions or propagators in terms of Feynman diagrams. It also introduces and analyzes practical computational methods, such as the field-tested algebraic-diagrammatic construction (ADC) schemes. The ADC concept can also be established via a wave-function based procedure, referred to as intermediate state representation (ISR), which bridges the gap between propagator and wave-function formulations. Based on the current rapid increase in computer power and the development of efficient computational methods, quantum chemistry has emerged as a potent theoretical tool for treating ever-larger molecules and problems of chemical and physical interest. Offering an introduction to many-body methods, this book appeals to advanced students interested in an alternative approach to the many-electron problem in molecules, and is suitable for any courses dealing with computational methods in quantum chemistry.

Author : Hellmut Haberland
Publisher : Springer
Page : 422 pages
File Size : 19,43 MB
Release : 2012-01-07
Category : Science
ISBN : 9783642843303

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Clusters of Atoms and Molecules I is devoted to theoretical concepts and experimental techniques important in the rapidly expanding field of cluster science. Cluster properties are dicussed for clusters composed of alkali metals, semiconductors, transition metals, carbon, oxides and halides of alkali metals, rare gases, and neutral molecules. The book contains several well-integrated treatments, all prepared by experts. Each contribution starts out as simple as possible and ends with the latest results, so that the book can serve as a text for a course, an introduction into the field, or as a reference book for the expert.

Author : Julius Jellinek
Publisher : Springer Science & Business Media
Page : 438 pages
File Size : 22,56 MB
Release : 2012-12-06
Category : Science
ISBN : 364258389X

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The emergence and spectacularly rapid evolution of the field of atomic and molecular clusters are among the most exciting developments in the recent history of natural sciences. The field of clusters expands into the traditional disciplines of physics, chemistry, materials science, and biology, yet in many respects it forms a cognition area of its own. This book presents a cross section of theoretical approaches and their applications in studies of different cluster systems. The contributions are written by experts in the respective areas. The systems discussed range from weakly (van der Waals) bonded, through hydrogen- and covalently bonded, to semiconductor and metallic clusters. The theoretical approaches involve high-level electronic structure computations, more approximate electronic structure treatments, use of semiempirical potentials, dynamical and statistical analyses, and illustrate the utility of both classical and quantum mechanical concepts.

Author : Keith D. Bonin
Publisher : World Scientific
Page : 274 pages
File Size : 11,94 MB
Release : 1997
Category : Science
ISBN : 9789810224936

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This book is an in-depth review of experiment and theory on electric-dipole polarizabilities. It is broad in scope, encompassing atomic, molecular, and cluster polarizabilities. Both static and dynamic polarizabilities are treated (in the absence of absorption) and a full tensor picture of the polarizability is used. Traditional experimental techniques for measuring electric polarizabilities are described in detail. Recently developed experimental methods, including light forces, position-sensitive time-of-flight deflection, and atom interferometry, are also extensively discussed. Theoretical techniques for calculating polarizabilities are reviewed, including a discussion on the use of Gaussian basis sets. Many important comparisons between theory and experiment are summarized in an extensive set of tables of polarizabilities of important atoms, molecules, and clusters. Applications of polarizabilities to many areas of chemistry and physics are described, including optics, chemical structure, interactions of gases and particles with surfaces, and the interaction of molecules with light. The emphasis is on a lucid presentation of the ideas and results with up-to-date discussions on important applications such as optical tweezers and nanostructure fabrication. This book provides an excellent overview of the importance of polarizabilities in understanding the physical, electronic, and optical properties of particles in a regime that goes from free atoms to condensed-phase clusters.

Author : Julio A. Alonso
Publisher : World Scientific
Page : 492 pages
File Size : 15,12 MB
Release : 2012
Category : Science
ISBN : 1848167334

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Atomic clusters are aggregates of atoms containing a few to several thousand atoms. Due to the small size of these pieces of matter, the properties of atomic clusters in general are different from those of the corresponding material in the macroscopic bulk phase. This monograph presents the main developments of atomic clusters and the current status of the field. The book treats different types of clusters with very different properties: clusters in which the atoms or molecules are tied by weak van der Waals interactions, metallic clusters, clusters of ionic materials, and network clusters made of typical covalent elements. It includes methods of experimental cluster synthesis as well as the structural, electronic, thermodynamic and magnetic properties of clusters, covering both experiments and the theoretical work that has led to our present understanding of the different properties of clusters. The question of assembling nanoclusters to form solids with new properties is also considered. Having an adequate knowledge of the properties of clusters can be of great help to any scientist working with objects of nanometric size. On the other hand, nanoclusters are themselves potentially important in fields like catalysis and nanomedicine.

Author : Hellmut Haberland
Publisher : Springer
Page : 0 pages
File Size : 42,39 MB
Release : 1994
Category : Science
ISBN : 9783642849855

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Cluster science studies the transition from atomic, and molecular physics or chemistry to the science and technology of condensed matter. Two main topics from this large field will be emphasized in this second volume of Atomic and Molecular Clusters. After an Introduction, Chap. 2 deals mainly with molecular clusters, how they react to positive or negative charges (Sect. 2.1 to 2.5), how they decompose and how they can be charged (Sect. 2.6 and 2.7), and how one can do chemistry with them (2.8 and 2.9). Clusters in contact with a macroscopic medium are treated in Chap. 3. It is from this domain that one can expect possible new applications of cluster science. The optical spectra of silver clusters in a dielectric medium are discussed in Sect. 3.1. Their properties have since long been used unknowingly to stain glass windows. Large clusters floating in an ambient pressure gas are called aerosols (Sect. 3.2). Their properties can be used to monitor air pollution. Development of a photographic film is due to supported silver clusters in a liquid environment (Sect. 3.3). Large semiconductor clusters, also called "quantum dots", have novel optical and electronic properties (Sect. 3.4). The optical properties of large clusters, in general, are reviewed in Sect. 3.5, and properties of clusters supported on clean surfaces are discussed in Sect. 3.6.

Author : Rajat Kumar Chaudhuri
Publisher : CRC Press
Page : 161 pages
File Size : 42,80 MB
Release : 2017-02-17
Category : Science
ISBN : 1315356333

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Brings Readers from the Threshold to the Frontier of Modern Research Many-Body Methods for Atoms and Molecules addresses two major classes of theories of electron correlation: the many-body perturbation theory and coupled cluster methods. It discusses the issues related to the formal development and consequent numerical implementation of the methods from the standpoint of a practicing theoretician. The book will enable readers to understand the future development of state-of-the-art multi-reference coupled cluster methods as well as their perturbative counterparts. The book begins with an introduction to the issues relevant to the development of correlated methods in general. It next gives a formally rigorous treatment of aspects that pave the foundation toward the theoretical development of methods capable of tackling problems of electronic correlation. The authors go on to cover perturbation theory first in a fundamental way and then in the multi-reference context. They also describe the idea of state-specific theories, Fock space-based multi-reference coupled cluster methods, and basic issues of the single-reference coupled cluster method. The book concludes with state-of-the-art methods of modern electronic structure.