Basic Quantum‐Chemical Concepts, The Chemical Bond Revisited (Jointly Written with I . T ranca)

Quantum-chemical functions as Partial density of States and Crystal orbital Hamiltonian population are introduced. They are essential to understand the electronic nature of the chemical bond. The electronic structure of diatomic molecules and solid state materials, mainly the transition metals will be discussed. As an illustration the relation between transition metal structure and valence electron distribution is presented.