PHYSICAL CHEMISTRY II
Learning outcomes of the course unit
The aim of the course is to give a basic knowledge of quantum mechanics, as applied to problems of chemical interest (atomic and molecular structure, basic molecular spectroscopy)
All the Physics and Mathematics courses
Course contents summary
INTRODUCTION TO QUANTUM MECHANICS
Basic concepts in classical physcis: particles and waves. Quantization, wave-particle duality. Crisis of classical concepts: The double-slit experiment.
QUANTUM MECHANICS FOUNDATIONS
The postulates. Operators. Commutation rules and uncertainty principle. Schroedinger equations.
EXACT SOLUTIONS OF SCHROEDINGER EQUATION
Particlein the box. Free-electron Molecular Orbital method (FEMO). Rigid rotor. Rotational spectra. Harmonic oscillator. Molecular vibrations and perturbation theory. Hydrogen atom. Angular momentum. The spin and Pauli exclusion principle.
Variational method. Electron-electron interaction. Slater orbitals, periodic Table of Elements. Hartree-Fock method.
MOLECULAR ELECTRONIC STRUCTURE
Born-Oppenheimer approximation. Biatomic molecules: MO and VB methods. Self-consistent method. Huckel model. Ab-initio and Density Functional methods.
SYMMETRY IN QUANTUM MECHANICS
Point group theory. Operation and symmetry groups. Reducible and irreducible representations. Direct product. Use of symmetry in quantum mechanics.
INTRODUCTION TO SPECTROSCOPIC METHODS
Time dependent perturbation theory. Spectral informations. Vibrational and electronic spectroscopy.
M.A. Ratner and G. C. Schatz, "Introduction to Quantum Mechanics in Chemistry" (Prentice Hall, 2001)
P.W. Atkins and R.S. Friedman, "Molecular Quantum Mechanics" (Oxford University Press, 1997 - third edition).
One single oral examination for Chimica Fisica II and Laboratorio di Chimica Fisica II