Introduction to Cluster DynamicsISBN: 9783527403455
341 pages
December 2003

Here, for the first time is a highly qualitative introduction to cluster physics. With its emphasis on cluster dynamics, this will be vital to everyone involved in this interdisciplinary subject. The authors cover the dynamics of clusters on a broad level, including recent developments of femtosecond laser spectroscopy on the one hand and timedependent density functional theory calculations on the other.
1 About clusters.
1.1 Atoms, molecules and solids.
1.1.1 Atoms.
1.1.2 Molecules.
1.1.3 The point of view of solid state physics.
1.2 Clusters between atom and bulk.
1.2.1 Clusters as scalable finite objects.
1.2.2 Varying cluster material.
1.3 Metal clusters.
1.3.1 Some specific properties.
1.3.2 On time scales.
1.3.3 Optical properties.
1.4 Conclusion.
2 From clusters to numbers: experimental aspects.
2.1 Production of clusters.
2.1.1 Cluster production in supersonic jets: a telling example.
2.1.2 More cluster sources.
2.1.3 Which clusters for which physics.
2.2 Basic experimental tools.
2.2.1 Mass spectrometers.
2.2.2 Optical spectroscopy.
2.2.3 Photoelectron spectroscopy.
2.3 Examples of measurements.
2.3.1 Abundances.
2.3.2 Ionization potentials.
2.3.3 Static polarizabilities.
2.3.4 Optical response.
2.3.5 Vibrational spectra.
2.3.6 Conductivity.
2.3.7 Magnetic moments.
2.3.8 Photoelectron spectroscopy.
2.3.9 Heat capacity.
2.3.10 Dissociation energies.
2.3.11 Limit of stability.
2.3.12 Femtosecond spectroscopy.
2.4 Conclusion.
3 The cluster manybody problem: a theoretical perspective.
3.1 Ions and electrons.
3.1.1 An example of true cluster dynamics.
3.1.2 The full manybody problem.
3.1.3 Approximations for the ions as such.
3.2 Approximation chain for the ion–electron coupling.
3.2.1 Core and valence electrons.
3.2.2 Pseudopotentials.
3.2.3 Jellium approach to the ionic background.
3.3 Approximation chain for electrons.
3.3.1 Exact calculations.
3.3.2 Ab initio approaches.
3.3.3 Densityfunctional theory.
3.3.4 Phenomenological electronic shell models.
3.3.5 Semiclassical approaches.
3.4 Putting things together.
3.4.1 Coupled ionic and electronic dynamics.
3.4.2 BornOppenheimer MD.
3.4.3 Structure optimization.
3.4.4 Modeling interfaces.
3.4.5 Approaches eliminating the electrons.
3.5 Conclusions.
4 Gross properties and trends.
4.1 Observables.
4.1.1 Excitation mechanisms.
4.1.2 Energies.
4.1.3 Shapes.
4.1.4 Emission.
4.1.5 Polarizability.
4.1.6 Conductivity.
4.1.7 Spectral analysis.
4.2 Structure.
4.2.1 Shells.
4.2.2 Shapes.
4.3 Optical response.
4.3.1 Mie plasmon, basic trends.
4.3.2 Basic features of the plasmon resonance.
4.3.3 Effects of deformation.
4.3.4 Other materials.
4.3.5 Widths.
4.4 Metal clusters and nuclei.
4.4.1 Bulk properties.
4.4.2 Shell effects.
4.4.3 Collective response.
4.4.4 Fission.
4.4.5 Cluster versus nuclear time scales.
4.5 Conclusions.
5 New frontiers in cluster dynamics.
5.1 Structure.
5.1.1 Fractal growth.
5.1.2 Hedroplets.
5.1.3 Heat capacity.
5.1.4 Static polarizability.
5.1.5 Magnetic properties.
5.2 Observables from linear response.
5.2.1 Optical absorption.
5.2.2 Beyond dipole modes.
5.2.3 Photoelectron spectroscopy.
5.3 Laser excitations in the semilinear regime.
5.3.1 Electron emission.
5.3.2 Shaping clusters.
5.3.3 Ionic effects in laser pulses of varied length.
5.3.4 Pump and probe analysis.
5.4 Excitation by particle impact.
5.4.1 Stability of clusters.
5.4.2 Collisions with ions.
5.4.3 Collisions with neutral atoms.
5.4.4 Electron scattering.
5.5 Strongly nonlinear laser processes.
5.5.1 Signals from exploding clusters.
5.5.2 Modeling exploding clusters.
5.5.3 Nuclear reactions.
5.6 Conclusion.
6 Concluding remarks.
Appendix.
A Conventions of notations, symbols, units, acronyms.
A.1 Units.
A.2 Notations.
A.3 Acronyms.
A.4 A few reference books on cluster physics and related domains.
B Gross properties of atoms and solids.
B.1 The periodic table of elements.
B.2 Atomic trends.
B.3 Electronic structure of atoms.
B.4 Properties of bulk material.
C Some details on basic techniques from molecular physics and quantum chemistry.
C.1 The BornOppenheimer approximation.
C.2 Ab initio methods for the electronic problem.
C.2.1 Hartree Fock as a starting point.
C.2.2 Beyond HF: CI and MCHF/MCSCF.
D More on pseudopotentials.
D.1 Construction of norm conserving pseudopotentials.
D.2 Ultra soft pseudopotentials.
D.3 Examples of simple local pseudopotentials.
E More on density functional theory.
E.1 KohnSham equations with spin densities.
E.2 Gradient corrections in LDA.
E.3 Self interaction correction.
E.4 Timedependent LDA and beyond
F Fermi gas model and semiclassics.
F.1 TheFermi gas.
F.2 Infinite electrongas atHartreeFock level.
F.3 The ThomasFermi approach.
F.4 Details of the nanoplasma model.
G Linearized TDLDA and related approaches.
G.1 The linearized equations.
G.2 Sumrule approximation.
H Numerical considerations.
H.1 Representation of electron wave functions and densities.
H.2 Iteration and propagation schemes.
H.2.1 Electronic ground state.
H.2.2 Dynamics.
H.3 Detailson simulatedannealing.
H.4 The testparticlemethodforVlasovLDAandVUU.
H.5 On the solution of theTDTFequation.
Bibliography.
Index.
Eric Suraud has been professor for Theoretical Physics at the PaulSabatier university in Toulouse, France, since 1992. He received his PhD in 1984 at the Paris university and his Habilitation in 1989 at the Grenoble university. He was junior member of Institut Universitaire de France in 19941999. He is presently director of the Institute de Recherche sur les Systemes Atomiques et Moleculaires Complexes in Toulouse and Vice Director of Institut de Physique Nucléaire et des Particules at CNRS in Paris. His present research interests mostly cover cluster physics and nuclear dynamics.
Bernd Hartke, Institut für Physikalische Chemie, Universität Kiel
Angewandte Chemie + IE 2004  116 / 24
"A competent concept combined with an interesting style and numerous helpful figures makes this book a pleasure to read. ... "Introduction to Cluster Dynamics" has certainly the potential to become a classical source for the education of graduate and PhD students providing teachers with a consistent and compact curriculum as well as giving the freshmen a quick access to the basic ideas and relevant literature."
Dr. Michael Moseler, Fraunhofer Institut für Werkstoffmechanik, Freiburg, ChemPhysChem, 2004