3 ECTS credits
90 h study time
Offer 1 with catalog number 1015355ANR for all students in the 2nd semester at a (A) Bachelor - preliminary level.
Lectures
Introduction: Quantum Chemistry, a project for a three years course.
Part 0 Introduction to Quantum Mechanics
.Origin of Quantum Mechanics: quantisation of light and matter
.De Broglie's matter waves and Schrödinger's wave equation
.Physical quantities and hermitean operators
Part 1 General Formalism of Quantum Mechanics
.Postulates, Hermitean operators, Time dependent Schrödinger equation.
Part 2 Exactly Soluble Systems
.The Harmonic Oscillations
.Particle is a central force field
Problem sessions (selection)
.Dulong and Petit's law
.Properties of operators including ther commutativity
.Particle in a box (1D and 3D) with the UV/VIS spectrum of linear polyenes as an application.
.Harmonic oscillator: characteristics of the solution in case of a concrete situation: the OH bond
.Polar diagrams
For Part 0 copies of the transparencies used during the lectures are distributed as well as copies of book-chapters (documentation)
For Part 1 and Part 2 a complete syllabus is available (Introduction to Quantum Chemistry -P.Geerlings), Dienst Uitgaven VUB.
The basic reference is P.W.Atkins and R.S.Friedman, "Molecular Quantum Mechanics", Fourth Edition, Oxford University Press, Oxford, 2005.
This book can also be used as reference for the above mentioned courses in 3BA and 1MA.
Learning Aims
This course gives a concise introduction to quantum mechanics serving as a basis for Physical Chemistry: Quantum Chemistry (3BA) and Molecular Physical Chemistry (1MA).
Starting from an historical introduction about the introduction of the quantisation concept (Planck, Einstein, Bohr) the necessity for the formulation of a wave equation is explained and the form of this equation is explained as to be "acceptable". After the formulation of the postulates of quantum mechanics the general formalism is presented. As an application, with a direct link to IR spectroscopy, the harmonic oscillator problem is treated in detail.
This course has a documentary character in the introductory chapter (Part 0). At the end of this part and in Part 1 more attention is then devoted to the mathematical derivations without however letting them prevail to physical insight. Nevertheless at the end of the course the student should possess some basic computational skills needed to take successfully the subsequent courses in 3BA and 1MA.
The exercises given by the instructor aim at training the computational skills on one hand and on the other hand at deepening physical insight by confronting the students with some simple problems.
Competences
The student
.has insight into the necessity of the introduction of Quantum Mechanics
.knows the postulates of QM and handles the relevant symbolics and mathematical apparatus
.applies this knowledge when solving very simple problems where both conceptual and computing skills are addressed
The final grade is composed based on the following categories:
Other Exam determines 100% of the final mark.
Within the Other Exam category, the following assignments need to be completed:
The exam comprises a part on problems (written, open book) followed by an oral part (closed book with written preparation) on the theoretical aspects.
In the exercises physical insight, computing skills and problemm solving competences are evaluated whereas in the oral exam physical insight and analytic and synthetic skills are assessed on the basis of review-type questions.
This offer is part of the following study plans:
Bachelor of Chemistry: Default track (only offered in Dutch)
Master of Teaching in Science and Technology: biologie (120 ECTS, Etterbeek) (only offered in Dutch)
Master of Teaching in Science and Technology: geografie (120 ECTS, Etterbeek) (only offered in Dutch)
Master of Teaching in Science and Technology: fysica (120 ECTS, Etterbeek) (only offered in Dutch)
Master of Teaching in Science and Technology: wiskunde (120 ECTS, Etterbeek) (only offered in Dutch)
Master of Teaching in Science and Technology: ingenieurswetenschappen (120 ECTS, Etterbeek) (only offered in Dutch)