Learning objectives
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)
Prerequisites
All the Physics and Mathematics courses<br />
Course unit content
<br />INTRODUCTION TO QUANTUM MECHANICS<br />Basic concepts in classical physcis: particles and waves. Quantization, wave-particle duality. Crisis of classical concepts: The double-slit experiment.<br />QUANTUM MECHANICS FOUNDATIONS<br />The postulates. Operators. Commutation rules and uncertainty principle. Schroedinger equations.<br />EXACT SOLUTIONS OF SCHROEDINGER EQUATION<br />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.<br />POLIELECTRONIC ATOMS<br />Variational method. Electron-electron interaction. Slater orbitals, periodic Table of Elements. Hartree-Fock method.<br />MOLECULAR ELECTRONIC STRUCTURE<br />Born-Oppenheimer approximation. Biatomic molecules: MO and VB methods. Self-consistent method. Huckel model. Ab-initio and Density Functional methods.<br />SYMMETRY IN QUANTUM MECHANICS<br />Point group theory. Operation and symmetry groups. Reducible and irreducible representations. Direct product. Use of symmetry in quantum mechanics.<br />INTRODUCTION TO SPECTROSCOPIC METHODS<br />Time dependent perturbation theory. Spectral informations. Vibrational and electronic spectroscopy. <br />
Full programme
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Bibliography
M.A. Ratner and G. C. Schatz, "Introduction to Quantum Mechanics in Chemistry" (Prentice Hall, 2001)<br /><br />P.W. Atkins and R.S. Friedman, "Molecular Quantum Mechanics" (Oxford University Press, 1997 - third edition).
Teaching methods
One single oral examination for Chimica Fisica II and Laboratorio di Chimica Fisica II
Assessment methods and criteria
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Other information
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