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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.
List of contents
Phases and Phase Changes of Small Systems.- Physics of Clusters and Cluster Assemblies.- Structures, Vibrational Frequency Shifts and Photodissociation Dynamics of ArnHF van der Waals Clusters.- Rearrangements of Water Dimer and Hexamer.- Fullerene Collisions.- Predicting the Properties of Semiconductor Clusters.- Structure, Reactivity and Dynamics of Atomic and Molecular Clusters Using Density Functional Theory (DFT) and Other Tools.- Ultrafast Structural Response and Nonlinear Fragmentation Dynamics &of Small Clusters Induced by Optical Excitation.- Electron Dynamics in Metal Clusters.- Accurate Phase Space Theory and Molecular Dynamics Calculations &of Aluminum Cluster Dissociation.- Electronic Structure of Bimetallic Clusters Based on Alkali Elements.- Alloy Clusters:&Structural Classes, Mixing, and Phase Changes.- Quantum Mechanics of Hydrogen on Nickel and Palladium Clusters.- Metal-Cluster - Surface Interaction: Simple Models and Ab Initio Calculations.- Experimental Studies of the Structures&and Isomerization of Atomic Clusters.- Silver Clusters and Silver Cluster/Ammonia Complexes.- Laser-Femtochemistry of Small Clusters.
