ABSTRACT

Clusters have been recognized [1] as distinct physical objects with unusual properties at small scale of matter. The physics and chemistry of atomic and molecular clusters

11.1 Introduction ..................................................................................................205 11.2 Methodology .................................................................................................207 11.3 Structures and Energetics of Sodium Clusters ............................................. 210

11.3.1 MESP-Guided Cluster Building Model and CG-MTA Optimization ............................................................. 210 11.3.2 Deformation Parameter .................................................................... 212

11.4 Electronic Properties of Sodium Clusters .................................................... 213 11.4.1 Molecular Electron Density (MED) ................................................. 214 11.4.2 Adiabatic Ionization Potential and Hardness ................................... 215 11.4.3 Molecular Electrostatic Potential (MESP) Minima ......................... 219 11.4.4 Polarizability ..................................................................................... 221

11.5 Concluding Remarks .................................................................................... 223 Acknowledgments ..................................................................................................224 References ..............................................................................................................224