66689 - Physical Chemistry II and Laboratory

Course Unit Page

  • Teacher Raffaele Guido Della Valle

  • Learning modules Raffaele Guido Della Valle (Modulo 1)
    Raffaele Guido Della Valle (Modulo 2)
    Alberto Arcioni (Modulo 3)

  • Credits 12

  • SSD CHIM/02

  • Language Italian

  • Campus of Bologna

  • Degree Programme First cycle degree programme (L) in Industrial Chemistry (cod. 8513)

  • Teaching resources on Virtuale

Academic Year 2019/2020

Learning outcomes

The course covers the basic principles of Quantum Mechanics, and their applications to molecular systems.

Course contents

Prerequisites

To follow the course one must have assimilated the following teachings:

  • General Chemistry
  • Mathematics
  • Physics

Course contents

This course covers the following topics: Historical development of quantum theory. The postulates of Quantum Mechanics. Properties of particles and waves, wave mechanics and applications to simple systems: the particle in a box, the harmonic oscillator, the rigid rotor and the hydrogen atom. Atomic structure and the Periodic Table.
Molecular structure and geometry. Separation between nuclear and electronic motion.  Molecular orbitals and the Hartree-Fock method (HF-SCF). The LCAO approximation and atomic basis sets. Computation of molecular properties. Applications to chemistry. Spectroscopy.  

Readings/Bibliography

Lecture notes (in Italian), required and sufficient for the course.

Only for those who want to learn more:

1) D.A. McQuarrie and J.D. Simon, "Physical Chemistry: A Molecular Approach", University Science Book
2) A. Atkins and R.S. Friedman, "Molecular Quantum Mechanics", Oxford University Press

Teaching methods

Lectures, exercises, and practical works.

Assessment methods

Written test and oral exam.

Teaching tools

1) On line lecture notes (in Italian).
2) On line supplementary material.
3) Linux hosts with several programs for computational chemistry

Links to further information

http://www2.fci.unibo.it/~valle/

Office hours

See the website of Raffaele Guido Della Valle

See the website of Alberto Arcioni