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Theory of Atomic and Molecular Clusters

With a Glimpse at Experiments

  • Book
  • © 1999

Overview

Editors:
  1. Julius Jellinek

    1. Chemistry Division, Argonne National Laboratory, Argonne, USA

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  • The book summarises the present top knowledge on theory of clusters
  • There is no other comparable book on the market
  • Includes supplementary material: sn.pub/extras

Part of the book series: Springer Series in Cluster Physics (CLUSTER)

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Table of contents (17 chapters)

  1. Front Matter

    Pages I-VIII
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  2. Phases and Phase Changes of Small Systems

    • R. Stephen Berry
    Pages 1-26

  3. Physics of Clusters and Cluster Assemblies

    • P. Jena, S. N. Khanna, B. K. Rao
    Pages 27-53

  4. Structures, Vibrational Frequency Shifts and Photodissociation Dynamics of ArnHF van der Waals Clusters

    • Zlatko Bačić
    Pages 54-85

  5. Rearrangements of Water Dimer and Hexamer

    • David J. Wales
    Pages 86-110

  6. Fullerene Collisions

    • Olaf Knospe, Rüdiger Schmidt
    Pages 111-135

  7. Predicting the Properties of Semiconductor Clusters

    • James R. Chelikowsky, Serdar Öğüt, Igor Vasiliev, Andreas Stathopoulos, Yousef Saad
    Pages 136-156

  8. Structure, Reactivity and Dynamics of Atomic and Molecular Clusters Using Density Functional Theory (DFT) and Other Tools

    • Dennis R. Salahub, Ana Martinez, Dongqing Wei
    Pages 157-180

  9. Ultrafast Structural Response and Nonlinear Fragmentation Dynamics of Small Clusters Induced by Optical Excitation

    • M. E. Garcia, H. O. Jeschke, K. H. Bennemann
    Pages 181-208

  10. Electron Dynamics in Metal Clusters

    • C. Guet, L. Plagne
    Pages 209-227

  11. Accurate Phase Space Theory and Molecular Dynamics Calculations of Aluminum Cluster Dissociation

    • Gilles H. Peslherbe, William L. Hase
    Pages 228-254

  12. Electronic Structure of Bimetallic Clusters Based on Alkali Elements

    • Julio A. Alonso, María J. López
    Pages 255-276

  13. Alloy Clusters: Structural Classes, Mixing, and Phase Changes

    • Julius Jellinek, Evgueni B. Krissinel
    Pages 277-308

  14. Quantum Mechanics of Hydrogen on Nickel and Palladium Clusters

    • M. A. Gomez, B. Chen, David L. Freeman, J. D. Doll
    Pages 309-325

  15. Metal Cluster — Surface Interaction: Simple Models and Ab Initio Calculations

    • Hannu Häkkinen, Matti Manninen
    Pages 326-346

  16. Experimental Studies of the Structures and Isomerization of Atomic Clusters

    • Ph. Dugourd, R. R. Hudgins, A. A. Shvartsburg, M. F. Jarrold
    Pages 347-370

  17. Silver Clusters and Silver Cluster/Ammonia Complexes

    • David M. Rayner, Kalliopi Athanassenas, Bruce A. Collings, Steven A. Mitchell, Peter A. Hackett
    Pages 371-395

  18. Laser-Femtochemistry of Small Clusters

    • Elmar Schreiber
    Pages 396-429
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Keywords

About this book

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.

Editors and Affiliations

  • Chemistry Division, Argonne National Laboratory, Argonne, USA

    Julius Jellinek

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