Superatoms. An Introduction

Cover
Half Title
Title Page
Copyright Page
Contents
Preface
CHAPTER 1: What Makes an Atom?
	1.1. SUPERATOMS
	1.2. THE SCHRÖDINGER EQUATION
		1.2.1. The Many-Body Problem in Quantum Mechanics
		1.2.2. Free Electrons in Three Dimensions
	1.3. ATOMS
		1.3.1. The Hydrogen Atom
		1.3.2. The Helium Atom
		1.3.3. Generalised Many-Electron Atoms
	1.4. THE LIMITS OF THE PERIODIC TABLE
	BIBLIOGRAPHY
CHAPTER 2: Electronic Shell Structure
	2.1. METAL CLUSTERS
	2.2. EXPERIMENTAL EVIDENCE OF MAGIC NUMBERS
	2.3. THE EFFECTIVE POTENTIAL
		2.3.1. Isotropic Potentials
		2.3.2. Anharmonic and Aspherical Potentials
	BIBLIOGRAPHY
CHAPTER 3: From the Jellium Model to Density Functional Theory
	3.1. THE JELLIUM MODEL
	3.2. NUMERICAL CALCULATIONS
		3.2.1. The Variational Principle
	3.3. THE PSEUDOPOTENTIAL MODEL
	3.4. ELECTRONIC STRUCTURE CALCULATIONS FOR METAL CLUSTERS
		3.4.1. The Influence of Lattice Structure
		3.4.2. The Behaviour of Different Metals
	3.5. DENSITY FUNCTIONAL THEORY
		3.5.1. The Hohenberg-Kohn Theorems
		3.5.2. The Kohn-Sham Equations
	BIBLIOGRAPHY
CHAPTER 4: From Density Functional Theory to Properties
	4.1. ANALYSIS TECHNIQUES FOR ELECTRONIC STRUCTURE OF SUPERATOMS
		4.1.1. The Density of States
		4.1.2. Spherical Harmonic Projection
	4.2. THE PHYSICS OF THE EXCHANGE-CORRELATION FUNCTIONAL
	4.3. FAMILIES OF FUNCTIONALS
	4.4. BEYOND THE INDEPENDENT PARTICLE APPROXIMATION
	BIBLIOGRAPHY
CHAPTER 5: Real Metal Clusters
	5.1. MONOVALENT METALS
	5.2. DIVALENT METALS
	5.3. TRIVALENT METALS
		5.3.1. Trivalent Metals with s2p1 Configurations
		5.3.2. Trivalent Metals with s2d1 Configurations
	5.4. TRANSITION METALS
	BIBLIOGRAPHY
CHAPTER 6: Non-metal Superatoms
	6.1. SUPERHALOGENS
	6.2. SUPERALKALIS
	BIBLIOGRAPHY
CHAPTER 7: Ligand Protected Metal Clusters
	7.1. GOLD THIOLATE CLUSTERS
	7.2. PHOSPHINE PROTECTED GOLD CLUSTERS
	7.3. LIGAND PROTECTED ALUMINIUM AND GALLIUM CLUSTERS
		7.3.1. The Role of the Ligand Shell
	BIBLIOGRAPHY
CHAPTER 8: Beyond Simple Superatoms
	8.1. TUNABLE SUPERATOMS
		8.1.1. Magnetic Dopants
	8.2. OPEN SHELL MAGNETIC SUPERATOMS
	8.3. SUPERATOMIC MOLECULES
	BIBLIOGRAPHY
CHAPTER 9: Superatomic Assemblies
	9.1. EXPERIMENTAL EVIDENCE OF SUPERATOMIC ASSEMBLIES
	9.2. THE BAND STRUCTURE OF SOLIDS
		9.2.1. Crystal Structures
		9.2.2. The Brillouin Zone
	9.3. THE BAND STRUCTURE OF SUPERATOMIC ASSEMBLIES
	9.4. ELECTRONIC PROPERTIES OF CLUSTER ASSEMBLIES
		9.4.1. Boltzmann Theory: Application to Superatomic Solids
	9.5. SUPERATOMIC CHARACTER IN THE SOLID STATE
	9.6. SUMMARY
	BIBLIOGRAPHY
Index