Clusters of Atoms and Molecules

Clusters of Atoms and Molecules
Author: Hellmut Haberland
Publisher: Springer Science & Business Media
Total Pages: 435
Release: 2013-11-11
Genre: Science
ISBN: 3642843298

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.

Many-Body Methods for Atoms, Molecules and Clusters

Many-Body Methods for Atoms, Molecules and Clusters
Author: Jochen Schirmer
Publisher: Springer
Total Pages: 330
Release: 2018-11-02
Genre: Science
ISBN: 3319936026

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.

Atoms, Molecules and Clusters in Electric Fields

Atoms, Molecules and Clusters in Electric Fields
Author: George Maroulis
Publisher: Imperial College Press
Total Pages: 694
Release: 2006
Genre: Technology & Engineering
ISBN: 1860948863

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.

Structure and Properties of Atomic Nanoclusters

Structure and Properties of Atomic Nanoclusters
Author: Julio A. Alonso
Publisher: World Scientific
Total Pages: 492
Release: 2012
Genre: Science
ISBN: 1848167334

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.

Atom, Molecule, and Cluster Beams II

Atom, Molecule, and Cluster Beams II
Author: Hans Pauly
Publisher: Springer Science & Business Media
Total Pages: 414
Release: 2000-09-27
Genre: Medical
ISBN: 9783540676737

This book completes the physical foundations and experimental techniques described in volume 1 with an updated review of the accessory equipment indispensable in molecular beam experiments. It extends the subject to cluster beams and beams of hyperthermal and subthermal energies. As in volume 1, a special effort is made to outline the physical foundations of the various experimental techniques. Hence this book is intended not only as a reference standard for researchers in the field, but also to bring the flavor of current molecular beam research to advanced undergraduates and graduate students and to enable them to gain a solid background in the field and its technique.

Radiation Induced Molecular Phenomena in Nucleic Acids

Radiation Induced Molecular Phenomena in Nucleic Acids
Author: Manoj Shukla
Publisher: Springer Science & Business Media
Total Pages: 677
Release: 2008-05-08
Genre: Science
ISBN: 1402081847

Comprehensive theoretical and experimental analysis of UV-radiation and low energy electron induced phenomena in nucleic acid bases (NABs) and base assemblies are presented in this book. NABs are highly photostable; the absorbed energy is dissipated in the form of ultrafast nonradiative decay. This book highlights the possible mechanisms of these phenomena which is important for all living species and discusses technical challenges in exploration of these processes.

Many-Body Methods for Atoms and Molecules

Many-Body Methods for Atoms and Molecules
Author: Rajat Kumar Chaudhuri
Publisher: CRC Press
Total Pages: 161
Release: 2017-02-17
Genre: Science
ISBN: 1315356333

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.

Atomic and Molecular Clusters

Atomic and Molecular Clusters
Author: Roy L. Johnston
Publisher: CRC Press
Total Pages: 258
Release: 2002-04-25
Genre: Science
ISBN: 9781420055771

Cluster physics is the foundation of the increasingly important field of nanotechnology. Clusters, ranging in size from a few to many millions of atoms, constitute a fascinating field of research in physics, chemistry and materials science. They are formed by most of the elements of the Periodic Table, and the types of bonding and the resultant clusters are equally as varied. This book introduces atomic clusters, ranging from weakly-bonded clusters of argon to strongly-bonded carbon clusters and metal nano-particles. It includes worked examples to enable lecturers and students to gauge their understanding and progress. Atomic and Molecular Clusters describes the experimental generation, detection and interrogation of clusters and theoretical approaches developed to aid understanding of their physical properties. It classifies clusters according to their bonding types and gives examples of present and possible future applications of clusters in electronic, optical and magnetic devices.

Aromaticity and Metal Clusters

Aromaticity and Metal Clusters
Author: Pratim Kumar Chattaraj
Publisher: CRC Press
Total Pages: 466
Release: 2010-10-15
Genre: Science
ISBN: 9781439813355

Metal clusters, an intermediate state between molecules and the extended solid, show peculiar bonding and reactivity patterns. Their significance is critical to many areas, including air pollution, interstellar matter, clay minerals, photography, catalysis, quantum dots, and virus crystals. In Aromaticity and Metal Clusters, dozens of international experts explore not only the basic aspects of aromaticity, but also the structures, properties, reactivity, stability, and other consequences of the aromaticity of a variety of metal clusters. Although the concept of aromaticity has been known for nearly two centuries, there is no way to measure it experimentally and no theoretical formula to calculate it. In order to gain insight into its exact nature, the authors of this volume examine various indirect characteristics such as geometrical, electronic, magnetic, thermodynamic, and reactivity considerations. The book begins by discussing the evolution of aromaticity from benzene to atomic clusters. Next, more specialized chapters focus on areas of significant interest. Topics discussed include: Computational studies on molecules with unusual aromaticity Electronic shells and magnetism in small metal clusters A density functional investigation on the structures, energetics, and properties of sodium clusters through electrostatic guidelines and molecular tailoring The correlation between electron delocalization and ring currents in all metallic aromatic compounds Phenomenological shell model and aromaticity in metal clusters Rationalizing the aromaticity indexes used to describe the aromatic behavior of metal clusters 5f orbital successive aromatic and antiaromatic zones in triangular uranium cluster chemistry This collection of diverse contributions, composed of the work of scientists worldwide, is destined to not only answer puzzling questions about the nature of aromaticity, but also to provoke further inquiry in the minds of researchers.