cod. 00127

Academic year 2011/12
3° year of course - First semester
Academic discipline
Chimica fisica (CHIM/02)
Discipline chimiche inorganiche e chimico-fisiche
Type of training activity
48 hours
of face-to-face activities
6 credits
course unit
in - - -

Learning objectives

The course gives the basic tools for the quantum-mechanical description of chemically-relevant systems.


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Course unit content

Introduction to quantum mechanics
* the double slit experiment, the photon polarization, the cocept of superposition
* states and operators in quantum mechanics, vectors and matrices
* observables, eigenstates and the concept of measurement
* commutability and compatibility
* Scrödinger representation
* Scrödinger equation

A few exact solutions of the Scrödinger equation
* the free particle
* the particle in the box
* the harmonic oscillator
* the rigid rotor, angular momenta and spin
* hydrogenic atom

Methods of approximation
* perturnbation theory (stationary states)
* variationa method

Symmetry in quantum-mechanics
* symmetry and group theory
* symmetry and quantum mechanics
* point symmetry, continuous groups, etc
* exchange symmetry: bosons and fermions

Atoms and molecules: basic concepts
* the adiabati approximation (Born-Oppenheimer)
* self-consistent field and atomic/molecular orbitals

Atomic structure
* configurations and aufbau
* coupling of angular momenta: terms
* spin orbit coupling:levels and LS, jj coupling schemes

Molecular structure
* the chemical bond: the hydrogen molecule
* diatomic homonuclear molecules
* polyatomic molecules
* hybrid orbitals
* transition metal complexes
* the Huckel method
* vibrations in polyatomic molecules

Full programme

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the suggested textbook
P.W. Atkins and R.S. Friedman, Molecular Quantum Mechanics, Oxford University Press, 2011 -
is complemented with lectures notes available to the students

Teaching methods

class lectures

Assessment methods and criteria

final oral exam

Other information

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