Excess Electrons in Dielectric Media


Book Description

This book provides a comprehensive review of the present knowledge and current problems concerning physical-chemical aspects of the behavior of excess electrons in various media. The book's 13 chapters strike a balance between theoretical and experimental accounts and provide in-depth presentations of specific subjects. Among the several topics discussed in this stimulating volume are primary interactions, transport, and relaxation of excess electrons of a few tens of electron-Volts in various solid and liquid materials; energetics and transport properties of electrons after thermalization in non-polar dielectric liquids; quantum simulation methods; and electron solvation in polar liquids and of excess electrons trapped in polar matrices at low temperature. Applications of these concepts are discussed as well, including hot electron transport in silicon dioxide, the fate of excess electrons created in polar dielectric liquids by photoelectrochemical methods or by cathodic generation, and excess electron production and decay in organic microheterogeneous systems. Researchers, instructors, and engineers working in the radiation sciences, condensed-matter physics, chemical physics, biophysics, photochemistry, and the biochemistry of electron transfer and electrochemistry should consider this book to be an invaluable reference resource.




Ab Initio Molecular Dynamics


Book Description

Ab initio molecular dynamics revolutionized the field of realistic computer simulation of complex molecular systems and processes, including chemical reactions, by unifying molecular dynamics and electronic structure theory. This book provides the first coherent presentation of this rapidly growing field, covering a vast range of methods and their applications, from basic theory to advanced methods. This fascinating text for graduate students and researchers contains systematic derivations of various ab initio molecular dynamics techniques to enable readers to understand and assess the merits and drawbacks of commonly used methods. It also discusses the special features of the widely used Car–Parrinello approach, correcting various misconceptions currently found in research literature. The book contains pseudo-code and program layout for typical plane wave electronic structure codes, allowing newcomers to the field to understand commonly used program packages and enabling developers to improve and add new features in their code.




Physics of Clusters


Book Description

The monograph is devoted to the relatively new and fast developing field of cluster physics. It is based on talks given at the Cluster Workshops, which were held in Pushchino in 1995 and 1996. The reports focus not only on the fundamental physical properties of clusters such as their geometric and electronic structure, as well as optical, thermal and magnetic properties, but also on a broad spectrum of their potential applications. These include nucleation and growth of small particles, fabrication of new materials with predefined properties (cluster-assembled and nanostructures). Some aspects of simulations and calculations of small particles and clusters are also discussed.We hope that our monograph will be of interest to a broad range of readers who will be able to sense the excitement of the talks.







Physics and Chemistry of Finite Systems: From Clusters to Crystals


Book Description

Recent innovations in experimental techniques such as molecular and cluster beam epitaxy, supersonic jet expansion, matrix isolation and chemical synthesis are increasingly enabling researchers to produce materials by design and with atomic dimension. These materials constrained by sire, shape, and symmetry range from clusters containing as few as two atoms to nanoscale materials consisting of thousands of atoms. They possess unique structuraI, electronic, magnetic and optical properties that depend strongly on their size and geometry. The availability of these materials raises many fundamental questions as weIl as technological possibilities. From the academic viewpoint, the most pertinent question concerns the evolution of the atomic and electronic structure of the system as it grows from micro clusters to crystals. At what stage, for example, does the cluster look as if it is a fragment of the corresponding crystal. How do electrons forming bonds in micro-clusters transform to bands in solids? How do the size dependent properties change from discrete quantum conditions, as in clusters, to boundary constrained bulk conditions, as in nanoscale materials, to bulk conditions insensitive to boundaries? How do the criteria of classification have to be changed as one goes from one size domain to another? Potential for high technological applications also seem to be endless. Clusters of otherwise non-magnetic materials exhibit magnetic behavior when constrained by size, shape, and dimension. NanoscaIe metal particles exhibit non-linear opticaI properties and increased mechanical strength. SimiIarly, materials made from nanoscale ceramic particIes possess plastic behavior.




Theory of Atomic and Molecular Clusters


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.




Analysis and Control of Ultrafast Photoinduced Reactions


Book Description

This book summarizes several years of research carried out by a collaboration of many groups on ultrafast photochemical reactions. It emphasizes the analysis and characterization of the nuclear dynamics within molecular systems in various environments induced by optical excitations and the study of the resulting molecular dynamics by further interaction with an optical field.




Clusters And Fullerenes - Proceedings Of The Adriatico Research Conference


Book Description

In recent years very active research has been going on to understand the physics and chemistry of clusters, an intermediate state of matter between atoms and solids. Great excitement has been added to these efforts with the recent discovery of a new form of carbon, the fullerene and its aggregates, and subsequent observations of superconductivity with alkali doping. This volume critically reviews the recent progress made in the area of clusters and discusses the new problems opened up with the ongoing developments in fullerenes.




Springer Handbook of Atomic, Molecular, and Optical Physics


Book Description

Comprises a comprehensive reference source that unifies the entire fields of atomic molecular and optical (AMO) physics, assembling the principal ideas, techniques and results of the field. 92 chapters written by about 120 authors present the principal ideas, techniques and results of the field, together with a guide to the primary research literature (carefully edited to ensure a uniform coverage and style, with extensive cross-references). Along with a summary of key ideas, techniques, and results, many chapters offer diagrams of apparatus, graphs, and tables of data. From atomic spectroscopy to applications in comets, one finds contributions from over 100 authors, all leaders in their respective disciplines. Substantially updated and expanded since the original 1996 edition, it now contains several entirely new chapters covering current areas of great research interest that barely existed in 1996, such as Bose-Einstein condensation, quantum information, and cosmological variations of the fundamental constants. A fully-searchable CD- ROM version of the contents accompanies the handbook.




Attosecond Molecular Dynamics


Book Description

Attosecond science is a new and rapidly developing research area in which molecular dynamics are studied at the timescale of a few attoseconds. Within the past decade, attosecond pump–probe spectroscopy has emerged as a powerful experimental technique that permits electron dynamics to be followed on their natural timescales. With the development of this technology, physical chemists have been able to observe and control molecular dynamics on attosecond timescales. From these observations it has been suggested that attosecond to few-femtosecond timescale charge migration may induce what has been called “post-Born-Oppenheimer dynamics”, where the nuclei respond to rapidly time-dependent force fields resulting from transient localization of the electrons. These real-time observations have spurred exciting new advances in the theoretical work to both explain and predict these novel dynamics. This book presents an overview of current theoretical work relevant to attosecond science written by theoreticians who are presently at the forefront of its development. It is a valuable reference work for anyone working in the field of attosecond science as well as those studying the subject.