Springer Science & Business Media, 08.03.2013 - 158 Seiten
This book aims at providing graduate students and researchers with funda mental knowledge indispensable for entering the new field of "microclus 3 ters". Microclusters consisting of 10 to 10 atoms exhibit neither the pro perties of the corresponding bulk nor those of the corresponding molecule of a few atoms. The microclusters may be considered to form a new phase of materials lying between macroscopic solids and microscopic particles such as atoms and molecules, showing both macroscopic and microscopic features. However, research into such"a riew phase has been left untouched until recent years by the development of the quantum theory of matter. The microscopic features of microclusters were first revealed by ob serving anomalies of the mass spectrum of a Na cluster beam at specific sizes, called magic numbers. Then it was experimentally confirmed that the magic numbers come from the shell structure of valence electrons. Being stimulated by these epoch-making findings in metal microclusters and aided by progress of the experimental techniques producing relatively dense, non interacting micro clusters of various sizes in the form of micro cluster beams, the research field of microclusters has developed rapidly in these 5 to 7 years. The progress is also due to the improvement of computers and com putational techniques, which have made it possible to perform ab initio cal culations of the atomic and electronic structure of smaller microclusters, as well as to carry out computer simulations of their dynamics.
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3d band 3d population adiabatic assumed atomic orbitals atomic structures binding energy bond length bulk caloric curve charged clusters cluster beam cluster ions configuration constituent atoms core cross sections deformation density depicted dimer discussed distribution effective potential electron affinity electron correlations energy levels equilibrium geometry Etot excitation experimental figure fission fluctuation fragmentation function GFMC given H3O+ icosahedron increases indicated interaction energy ionization potentials jellium jellium model laser lattice Lennard-Jones Lennard-Jones potential liquid droplet liquid-drop model magic numbers mass spectrum metal clusters metastable microclusters Molecular molecules motion N-atom cluster NaN clusters negative neutral cluster noble-metal non-empirical calculation number of atoms observed obtained octahedron orbitals parameter particles peak pentagonal pentagonal pyramid permutation isomers photoionization respectively shell correction shell model shell structure shown shows Silo sodium clusters solid-like spectra spherical spin stable surface symmetry Table temperature tion total energy total number transition tron valence electrons virial water clusters