[ 461WTPHTQCV20 ] VL Theoretical Quantum Chemistry

Workload Education level Study areas Responsible person Hours per week Coordinating university
3 ECTS M1 - Master's programme 1. year Physics Michel Bockstedte 2 hpw Johannes Kepler University Linz
Detailed information
Original study plan Master's programme Technical Physics 2020W
Objectives Learning of competences in the quantum mechanical description of molecules and concepts for the quantitative description of molecular properties using analytical and numerical approaches.
Subject Introduction to the quantum mechanics of molecules; description of the electronic structure using wave-function based approaches (Hartree-Fock and extensions) and in the frame work of density functional theory; Slater determinants; variational principle; ground and excited states of molecules and periodic systems; coupled dynamics of nuclei and electrons; chemical reactions.
Criteria for evaluation written and/or oral exams
Methods lecture
Language German
Study material as announced in the course
Changing subject? No
Further information course language may be changed to english if requested
On-site course
Maximum number of participants -
Assignment procedure Direct assignment