- Docente: Artur Nenov
- Credits: 12
- SSD: CHIM/02
- Language: Italian
- Moduli: Artur Nenov (Modulo 1) Artur Nenov (Modulo 2)
- Teaching Mode: Traditional lectures (Modulo 1) Traditional lectures (Modulo 2)
- Campus: Bologna
- Corso: First cycle degree programme (L) in Industrial Chemistry (cod. 8513)
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from Feb 20, 2023 to Jun 01, 2023
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from May 02, 2023 to Jun 01, 2023
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.
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
As concerns the teaching methods of this course unit, all students must attend Module 1, 2 [https://www.unibo.it/en/services-and-opportunities/health-and-assistance/health-and-safety/online-course-on-health-and-safety-in-study-and-internship-areas] online, while Module 3 on health and safety is to be attended in class. Information about Module 3 attendance schedule is available on the website of your degree programme
Lectures, exercises and computational lab. Participation in the labs is a requirement for giving the exam. Attendance of lectures is strongly recommended.
Assessment methods
The exam cosists of two parts - written and practical (on the computer) - which take place in a single day. Further details will be provided at the beginning of the lecture.
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 Artur Nenov