- Docente: Raffaele Guido Della Valle
- Credits: 12
- SSD: CHIM/02
- Language: Italian
- Moduli: Raffaele Guido Della Valle (Modulo 1) Raffaele Guido Della Valle (Modulo 2) Alberto Arcioni (Modulo 3)
- Teaching Mode: Traditional lectures (Modulo 1) Traditional lectures (Modulo 2) Traditional lectures (Modulo 3)
- Campus: Bologna
- Corso: First cycle degree programme (L) in Industrial Chemistry (cod. 8513)
Learning outcomes
The course covers the basic principles of Quantum Mechanics, and their applications to molecular systems.
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
1) Lecture notes (in Italian)
2) D.A. McQuarrie e J.D. Simon, "Physical Chemistry: A Molecular
Approach", University Science Book
3) A. Atkins e 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
Office hours
See the website of Raffaele Guido Della Valle
See the website of Alberto Arcioni