Theoretische Chemie I: Einführung in die Quantenmechanik
General information:
Module description (PDF in German)
Organizational information, summer term 2021 (SoSe 2021):
Please refer to the internal Moodle Web site of the course for assignments, exercises and lecture notes.
Registration key for the SoSe 2021: <TCI>(2021)
Lecturer:  Prof. Dr. Oriol Vendrell 
oriol.vendrell@pci.uniheidelberg.de


Exercises coordination:  Prof. Dr. Oriol Vendrell 
oriol.vendrell@pci.uniheidelberg.de 

Tutor:  t.b.d. 
x.yatstud.uniheidelberg.de 
The usual development of this course is through regular blackboard lectures (2 SWS) and exercises (2 SWS) on a weekly basis. This semester, due to the coronasituation, the course is taking place online in an asynchronous format. This means, for each block the following working materials will be indicated on the Moodle page of the course:
 Reading material from the main book (Griffiths) and, if meaningful, from other books.
 Handwritten notes, which correspond to what would have been developed on the blackboard.
 Video and/or audio material discussing the corresponding topics.
 Exercises from the booklet and, when meaningful, from the main textbook.
Blocks last usually more than a week, often about two weeks. New materials will be provided at the beginning of each week and the proposed exercises at the beginning of week X will be discussed by the tutors towards the middle/end of week X+1, thus providing time to digest the corresponding theory.
Overview of lecture contents:
(These contents serve as orientation and the order of presentation and exact list of topics discussed may slightly vary across semesters. Please refer to the internal Moodle web page of the course for further details.)
 The wavefunction and its equation of motion, the Schrödinger equation
 Operators and the representation of observable quantities
 Quantum mechanical measurements and expectation values
 Conservation laws, time dependence of observable quantities. Ehrenfest and virial theorems.
 Hermitian operators and their properties
 Simultaneous eigenstates
 The generalized uncertainty principle
 Vectors in Hilbert space, Dirac's notation and matrix formulation of QM
 Changes of representation and linear transformations
 The free particle
 Particle in a box: the emergence of quantization and boundary conditions
 The harmonic oscillator: eigenstates and eigenenergies
 Raising and lowering operators for the harmonic oscillator
 Particle on a ring and its angular momentum
 Formal aspects of angular momentum algebra
 Orbital and spin1/2 angular momenta
 Angular momentum of composite systems
 Timeindependent perturbation theory
 Firstorder timedependent perturbation theory and Fermi's golden rule.
 Application to particle in an external electric field
 Wavefunctions of manyelectron systems
 Applications to helium and molecular hydrogen
Recommended bibliography
Main textbook:
 Griffiths, Introduction to Quantum Mechanics
Pearson New International Edition; 2. Edition
ISBN: 9781292024080  Chapters 18
Other textbooks:
 Levine, Quantum Chemistry
Pearson; 7. Edition
ISBN: 9780321803450
Chapters 110
 Schwabl, Quantenmechanik
SpringerLehrbuch; 4. Auflage
ISBN: 9783662128671
Kapiteln 26, 811
 Atkins & Friedman, Molecular Quantum Mechanics
Oxford University Press; 5. Edition
ISBN: 9780199541423  Chapters 14, 6
Online resources
 QUANTUM PHYSICS; IOP Institute of Physics
Free, Registration required.
 QuVis The Quantum Mechanics Visualisation Project, University of St. Andrews
Very good visualization and interactive applets illustrating key quantum mechanics concepts.