Universität Wien
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260028 VO Electronic Structure of Materials (2017S)

2.50 ECTS (2.00 SWS), SPL 26 - Physik
Moodle

Details

Language: English

Examination dates

Lecturers

Classes (iCal) - next class is marked with N

  • Thursday 02.03. 15:30 - 16:30 Seminarraum Physik Sensengasse 8 EG (Kickoff Class)
  • Thursday 09.03. 15:30 - 17:00 Seminarraum Physik Sensengasse 8 EG
  • Thursday 16.03. 15:30 - 17:00 Seminarraum Physik Sensengasse 8 EG
  • Thursday 23.03. 15:30 - 17:00 Seminarraum Physik Sensengasse 8 EG
  • Thursday 30.03. 15:30 - 17:00 Seminarraum Physik Sensengasse 8 EG
  • Thursday 06.04. 15:30 - 17:00 Seminarraum Physik Sensengasse 8 EG
  • Thursday 27.04. 15:30 - 17:00 Seminarraum Physik Sensengasse 8 EG
  • Thursday 04.05. 15:30 - 17:00 Seminarraum Physik Sensengasse 8 EG
  • Thursday 11.05. 15:30 - 17:00 Seminarraum Physik Sensengasse 8 EG
  • Thursday 18.05. 15:30 - 17:00 Seminarraum Physik Sensengasse 8 EG
  • Thursday 01.06. 15:30 - 17:00 Seminarraum Physik Sensengasse 8 EG
  • Thursday 08.06. 15:30 - 17:00 Seminarraum Physik Sensengasse 8 EG
  • Thursday 22.06. 15:30 - 17:00 Seminarraum Physik Sensengasse 8 EG
  • Thursday 29.06. 15:30 - 17:00 Seminarraum Physik Sensengasse 8 EG

Information

Aims, contents and method of the course

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 materials.

This course focuses on the atomistic modeling of material properties through
the numerical solution of the many-electron Schrödinger equation and
provides an overview of electronic structure theory as applied to materials.
Specific topics include: Variational method and the many body problem;
Atoms; Wave function methods (Hartree-Fock and beyond); Density-functional theory; Band structure of crystal (Tight-binding method, full potential methods,
pseudopotentials); magnetism (Heisenberg Hamiltonian); selected examples of
properties of materials predicted from electronic structure schemes.
The applicability of the various computational tools to diverse problems will
be discussed (also through computational experiments involving the implementation and execution of model programs)..

This course requires some basic knowledge of quantum mechanics and solid states physics.

Assessment and permitted materials

Oral examination, possibly accompanied by a personal project consisting in the numerical or theoretical solution of a problem.

Minimum requirements and assessment criteria

Examination topics

Topics discussed during the lessons and summarized in the script and in the slides.

Reading list

Computational Physics, J.M. Thijssen (Cambridge University Press, 2007)
Electronic Structure: Basic Theory and Practical Methods, R. Martin (Cambridge University Press, 2004
Fundamentals of Condensed Matter Physics Marvin L. Cohen University of California, 2016
Atomic and Electronic Structure of Solids, E. Kaxiras, Cambridge 2003.

Association in the course directory

MF 1, MF 9, MaG 7, MaG 8, MaG 23, MaG 24, MaV 1, MaV 6

Last modified: Mo 07.09.2020 15:40