260065 VO Computational quantum mechanics (2011S)
Labels
DI wtl von 08.03.2011 bis 28.06.2011 14.00-15.45 Ort: Seminarraum, Sensengasse 8, EG, 1090 Wien
Details
max. 15 participants
Language: English
Examination dates
Lecturers
Classes
Currently no class schedule is known.
Information
Aims, contents and method of the course
This course focuses on the atomistic modeling of materials-specific properties through the solution of the many-electron Schrödinger equation. The students will be introduced to computational methods used in electronic structure calculations to reduce the complexity of the Schrödinger equation at various levels of sophistication. Specific topics include: numerical solution of the Schrödinger equation, linear algebra and matrix diagonalization, the many-body problem, tight-binding approximation, Hartree-Fock (HF) and density functional theories (DFT), post- HF and DFT methods. The applicability of the computational tools to diverse materials problems will be discussed (also through computational experiments). This course requires some prior experience in quantum mechanics and solid states physics.
Assessment and permitted materials
Oral exam
Minimum requirements and assessment criteria
Computational quantum-mechanical modeling of materials. The lecture will give students the theoretical background and the practical experience to model, understand, and predict the properties of real materials.
Examination topics
According to the type of the lecture.
Reading list
Association in the course directory
PD250,310,320
Last modified: We 19.08.2020 08:05