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Author : G. Del Re,G. Berthier,J. Serre
Publisher : Springer Science & Business Media
Page : 188 pages
File Size : 40,6 Mb
Release : 2012-12-06
Category : Science
ISBN : 9783642931345
Author : Hellmut Haberland
Publisher : Springer Science & Business Media
Page : 435 pages
File Size : 46,9 Mb
Release : 2013-11-11
Category : Science
ISBN : 9783642843297
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 : 41,9 Mb
Release : 2012-12-06
Category : Science
ISBN : 9783642583896
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,Vitaly V. Kresin
Publisher : World Scientific
Page : 274 pages
File Size : 55,5 Mb
Release : 1997
Category : Science
ISBN : 9810224931
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 : Jochen Schirmer
Publisher : Springer
Page : 332 pages
File Size : 48,7 Mb
Release : 2018-11-02
Category : Science
ISBN : 9783319936024
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 : Thomas Fehlner,Jean-Francois Halet,Jean-Yves Saillard
Publisher : Cambridge University Press
Page : 388 pages
File Size : 53,7 Mb
Release : 2007-07-05
Category : Science
ISBN : 9781107320833
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 : D.E. Ellis
Publisher : Springer Science & Business Media
Page : 321 pages
File Size : 52,5 Mb
Release : 2012-12-06
Category : Science
ISBN : 9789401104876
Rapid advances are taking place in the application of density functional theory (DFT) to describe complex electronic structures, to accurately treat large systems and to predict physical and chemical properties. Both theoretical content and computational methodology are developing at a pace which offers researchers new opportunities in areas such as quantum chemistry, cluster science, and solid state physics. This volume contains ten contributions by leading scientists in the field and provides an authoritative overview of the most important developments. The book focuses on the following themes: determining adequate approximations for the many-body problem of electronic correlations; how to transform these approximations into computational algorithms; applications to discover and predict properties of electronic systems; and developing the theory. For researchers in surface chemistry, catalysis, ceramics and inorganic chemistry.
Author : George Maroulis
Publisher : Imperial College Press
Page : 694 pages
File Size : 53,8 Mb
Release : 2006
Category : Technology & Engineering
ISBN : 9781860948862
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 : Gianfranco Pacchioni,Paul S. Bagus,Fulvio Parmigiani
Publisher : Springer Science & Business Media
Page : 683 pages
File Size : 46,6 Mb
Release : 2013-03-08
Category : Science
ISBN : 9781468460216
It is widely recognized that an understanding of the physical and chemical properties of clusters will give a great deal of important information relevant to surface and bulk properties of condensed matter. This relevance of clusters for condensed matter is one of the major motivations for the study of atomic and molecular clusters. The changes of properties with cluster size, from small clusters containing only a few atoms to large clusters containing tens of thousands of atoms, provides a unique way to understand and to control the development of bulk properties as separated units are brought together to form an extended system. Another important use of clusters is as theoretical models of surfaces and bulk materials. The electronic wavefunctions for these cluster models have special advantages for understanding, in particular, the local properties of condensed matter. The cluster wavefunctions, obtained with molecular orbital theory, make it possible to relate chemical concepts developed to describe chemical bonds in molecules to the very closely related chemical bonding at the surface and in the bulk of condensed matter. The applications of clusters to phenomena in condensed matter is a cross-disciplinary activity which requires the interaction and collaboration of researchers in traditionally separate areas. For example, it is necessary to bring together workers whose background and expertise is molecular chemistry with those whose background is solid state physics. It is also necessary to bring together experimentalists and theoreticians.
Author : Rajat Kumar Chaudhuri,Sudip Kumar Chattopadhyay
Publisher : CRC Press
Page : 161 pages
File Size : 48,5 Mb
Release : 2017-02-17
Category : Science
ISBN : 9781315356334
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.
Author : Ron Naaman,Zeev Vager
Publisher : Springer Science & Business Media
Page : 338 pages
File Size : 49,6 Mb
Release : 2012-12-06
Category : Technology & Engineering
ISBN : 9781468474244
The workshop on "The structure of small molecules and ions" was held at the Neve-Han guest house, near Jerusalem, Israel on December 13 to 18 in mem ory of the late Professor Itzhak Plesser. Professor Plesser played a central role in the research done both at the Weizmann Institute and at Argonne National Laboratories on the "Coulomb explosion" method. His friends honored his memory by organizing a meeting in which subjects related to Plesser's interests would be discussed. Just a week be fore the conference started we were struck by another tragedy -the death of our graduate student Ms. Hana Kovner, who participated in many of the Coulomb explosion experiments at the Weizmann Institute. We would like to dedicate these proceedings to her memory as well. The goal of the workshop was to bring together chemists and physicists working on different aspects of the structural problems of small molecular en tities. The time seemed appropriate for discussing experimental and theoretical concepts, since in recent years new methods have been introduced, and a large amount of information has been accumulated on systems not studied before, like unstable molecules, ions, van der Waals molecules and clusters. The program of the workshop reflects, we believe, these new developments. The meeting was characterized by intensive discussions in which the weak nesses and strengths of new and of well established concepts were revealed. We hope that it measured up to the high standards Itzhak Plesser maintained all through his scientific life.
Author : Hellmut Haberland
Publisher : Springer
Page : 0 pages
File Size : 54,7 Mb
Release : 1994
Category : Science
ISBN : 3642849857
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 : Keith D Bonin,Vitaly V Kresin
Publisher : World Scientific
Page : 272 pages
File Size : 49,7 Mb
Release : 1997-10-31
Category : Science
ISBN : 9789814499583
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. Contents:General Properties of the Linear PolarizabilityPolarizable SystemsTheoryExperimentManifestations of Polarization Properties Readership: Chemists, physicists and engineers. keywords:Polarizability;Cluster;Refractive Index;Absorption;Scattering;Optics;Dipole Moment;Light;Atoms;Molecules;Susceptibility;Dispersion;Dipole;Van der Waals;Dielectric Constant;Trapping
Author : Colm T. Whelan,Nigel J. Mason
Publisher : Springer Science & Business Media
Page : 362 pages
File Size : 47,8 Mb
Release : 2005-01-10
Category : Science
ISBN : 0306487012
There is a unity to physics; it is a discipline which provides the most fundamental understanding of the dynamics of matter and energy. To understand anything about a physical system you have to interact with it and one of the best ways to learn something is to use electrons as probes. This book is the result of a meeting, which took place in Magdalene College Cambridge in December 2001. Atomic, nuclear, cluster, soHd state, chemical and even bio- physicists got together to consider scattering electrons to explore matter in all its forms. Theory and experiment were represented in about equal measure. It was meeting marked by the most lively of discussions and the free exchange of ideas. We all learnt a lot. The Editors are grateful to EPSRC through its Collaborative Computational Project program (CCP2), lOPP, the Division of Atomic, Molecular, Optical and Plasma Physics (DAMOPP) and the Atomic Molecular Interactions group (AMIG) of the Institute of Physics for financial support. The smooth running of the meeting was enormously facilitated by the efficiency and helpfulness of the staff of Magdalene College, for which we are extremely grateful. This meeting marked the end for one of us (CTW) of a ten-year period as a fellow of the College and he would like to take this opportunity to thank the fellows and staff for the privilege of working with them.
Author : P. Jena
Publisher : Springer Science & Business Media
Page : 932 pages
File Size : 42,5 Mb
Release : 2013-06-29
Category : Science
ISBN : 9781475703573
Recent advances in experimental techniques now enable researchers to produce in a laboratory clusters of atoms of desired composition from any of the elements of the periodic table. This has created a new area of research into novel materials since clusters cannot be regarded either as a "large" molecule or as a fragment of the bulk. Both experimental and theoretical studies are revealing unusual properties that are not ob served in solid state environments. The structures of micro-clusters are found to be significantly distorted from the most symmetric arrangement, some even exhibiting pentagonal symmetry commonly found in icosahedric structures. The unusual stability of certain clusters, now described as "magic number species", shows striking similarities with the nuclear shell structure. The relative stabilities of clusters depend not only on the composition of the clusters but also on their charged states. The studies on spontaneous fragmentation of mUltiply charged clusters, commonly referred to as Coulomb explosion, illustrate the role of electronic bonding mechanisms on stability of clusters. The effect of foreign atoms on geometry and stability of clusters and the interaction of gas atoms with clusters are showing promise for an indepth understanding of chemisorption and catalysis. The magnetic and optical properties are dependent not only on cluster size but also on its geometry. These findings have the potential for aiding industry in the area of micro-electronics and catalysis.
