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Author: Publisher: Academic Press ISBN: 0080582540 Category : Science Languages : en Pages : 501
Book Description
Advances in Quantum Chemistry publishes surveys of current developments in the rapidly developing field of quantum chemistry--a field that falls between the historically established areas of mathematics, physics, chemistry, and biology. With invited reviews written by leading international researchers, each presenting new results, this quality serial provides a single vehicle for following progress in this interdisciplinary area.
Author: Abhijit Mookerjee Publisher: CRC Press ISBN: 9780415272490 Category : Technology & Engineering Languages : en Pages : 396
Book Description
Understanding the electronic structure of solids is a basic part of theoretical investigation in physics. Application of investigative techniques requires the solid under investigation to be "periodic." However, this is not always the case. This volume addresses three classes of "non-periodic" solids currently undergoing the most study: alloys, surfaces and clusters. Understanding the electronic structure of these systems is fundamental not only for the basic science, but also constitutes a very important step in various technological aspects, such as tuning their stabilities, chemical and catalytic reactivities and magnetism. Expert practitioners give an up-to-date account of the field with enough detailed background so that even a newcomer can follow the development. The theoretical framework is discussed in addition to the present status of knowledge in the field. Electronic Structure of Alloys, Surfaces and Clusters also includes an extensive bibliography which provides a comprehensive reading list of work on the topic.
Author: Claude Chapon Publisher: Springer Science & Business Media ISBN: 3642749135 Category : Science Languages : en Pages : 555
Book Description
A lively demonstration of the great vitality and the multidisciplinary character of cluster research and of the usefulness of synthesizing its various aspects was given at this symposium. This volume covers all aspects of the physical and chemical properties of free and supported clusters or small particles: static, dynamical, electronic, magnetic and optical properties, adsorption and chemical phenomena. It thus gives a complete overview of the status of the field and its development.
Author: Publisher: Academic Press ISBN: 0080582540 Category : Science Languages : en Pages : 501
Book Description
Advances in Quantum Chemistry publishes surveys of current developments in the rapidly developing field of quantum chemistry--a field that falls between the historically established areas of mathematics, physics, chemistry, and biology. With invited reviews written by leading international researchers, each presenting new results, this quality serial provides a single vehicle for following progress in this interdisciplinary area.
Author: Uwe Kreibig Publisher: Springer Science & Business Media ISBN: 3662091097 Category : Technology & Engineering Languages : en Pages : 552
Book Description
Optical Properties of Metal Clusters deals with the electronic structure of metal clusters determined optically. Clusters - as state intermediate between molecules and the extended solid - are important in many areas, e.g. in air pollution, interstellar matter, clay minerals, photography, heterogeneous catalysis, quantum dots, and virus crystals. This book extends the approaches of optical molecular and solid-state methods to clusters, revealing how their optical properties evolve as a function of size. Cluster matter, i.e. extended systems of many clusters - the most frequently occuring form - is also treated. The combination of reviews of experimental techniques, lists of results and detailed descriptions of selected experiments will appeal to experts, newcomers and graduate students in this expanding field.
Author: Thomas Fehlner Publisher: Cambridge University Press ISBN: 1107320836 Category : Science Languages : en Pages : 388
Book Description
Clusters can be viewed as solids at the nano-scale, yet molecular cluster chemistry and solid state chemistry have traditionally been considered as separate topics. This treatment has made it conceptually difficult to appreciate commonalities of structure and bonding between the two. Using analogous models, this is the first book to form a connecting bridge. Although the focus is on clusters, sufficient attention is paid to solid-state compounds at each stage of the development to establish the interrelationship between the two topics. Comprehensive coverage of cluster types by composition, size and ligation, is provided, as is a synopsis of selected research. Written in an accessible style and highly illustrated to aid understanding, this book is suitable for researchers in inorganic chemistry, physical chemistry, materials science, and condensed matter physics.
Author: Julio A. Alonso Publisher: World Scientific ISBN: 1848167334 Category : Science Languages : en Pages : 492
Book Description
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: Karl-Heinz Meiwes-Broer Publisher: Springer Science & Business Media ISBN: 9783540665625 Category : Science Languages : en Pages : 332
Book Description
Numerous experiments and calculations have shown that isolated metal clusters possess many interesting features, quite different from those known from surface and solid- state physics or from atomic and molecular physics. The technological exploitation of these new properties, e.g. in miniature electronic or mechanical components, requires the cluster to be brought into an environment such as an encapsulating matrix or a surface. Due to the interaction with the contact medium, the properties of the clusters may change or even disappear. Thus the physics of cluster-on-surface systems -- the main subject of this book -- is of fundamental importance. The book addresses a wide audience, from the newcomer to the expert. Starting from fundamental concepts of adsorbate-surface interactions, the modification of electronic properties through electron confinement, and concepts of cluster production, it elucidates the distinct properties of the new metallic nanostructures.
Author: Ole Krogh Andersen Publisher: World Scientific ISBN: 9814583278 Category : Science Languages : en Pages : 396
Book Description
Developments in the density functional theory and the methods of electronic structure calculations have made it possible to carry out ab-initio studies of a variety of materials efficiently and at a predictable level. This book covers many of those state-of-the-art developments and their applications to ordered and disordered materials, surfaces and interfaces and clusters, etc.
Author: Julius Jellinek Publisher: Springer ISBN: 9783642635700 Category : Science Languages : en Pages : 0
Book Description
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: Trygve Helgaker Publisher: John Wiley & Sons ISBN: 1119019559 Category : Science Languages : en Pages : 949
Book Description
Ab initio quantum chemistry has emerged as an important tool in chemical research and is appliced to a wide variety of problems in chemistry and molecular physics. Recent developments of computational methods have enabled previously intractable chemical problems to be solved using rigorous quantum-mechanical methods. This is the first comprehensive, up-to-date and technical work to cover all the important aspects of modern molecular electronic-structure theory. Topics covered in the book include: * Second quantization with spin adaptation * Gaussian basis sets and molecular-integral evaluation * Hartree-Fock theory * Configuration-interaction and multi-configurational self-consistent theory * Coupled-cluster theory for ground and excited states * Perturbation theory for single- and multi-configurational states * Linear-scaling techniques and the fast multipole method * Explicity correlated wave functions * Basis-set convergence and extrapolation * Calibration and benchmarking of computational methods, with applications to moelcular equilibrium structure, atomization energies and reaction enthalpies. Molecular Electronic-Structure Theory makes extensive use of numerical examples, designed to illustrate the strengths and weaknesses of each method treated. In addition, statements about the usefulness and deficiencies of the various methods are supported by actual examples, not just model calculations. Problems and exercises are provided at the end of each chapter, complete with hints and solutions. This book is a must for researchers in the field of quantum chemistry as well as for nonspecialists who wish to acquire a thorough understanding of ab initio molecular electronic-structure theory and its applications to problems in chemistry and physics. It is also highly recommended for the teaching of graduates and advanced undergraduates.
Author: 
Author: Abhijit Mookerjee
Author: Claude Chapon
Author: 
Author: Uwe Kreibig
Author: Thomas Fehlner
Author: Julio A. Alonso
Author: Karl-Heinz Meiwes-Broer
Author: Ole Krogh Andersen
Author: Julius Jellinek
Author: Trygve Helgaker