Universität Wien
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260065 VO Computational quantum mechanics (2009S)

2.50 ECTS (2.00 SWS), SPL 26 - Physik

Details

max. 12 participants
Language: German

Lecturers

Classes (iCal) - next class is marked with N

  • Tuesday 03.03. 14:15 - 16:00 Seminarraum, Zi. 3354A, Boltzmanngasse 5, 3. Stk., 1090 Wien
  • Tuesday 10.03. 14:15 - 16:00 Seminarraum, Zi. 3354A, Boltzmanngasse 5, 3. Stk., 1090 Wien
  • Tuesday 17.03. 14:15 - 16:00 Seminarraum, Zi. 3354A, Boltzmanngasse 5, 3. Stk., 1090 Wien
  • Tuesday 24.03. 14:15 - 16:00 Seminarraum, Zi. 3354A, Boltzmanngasse 5, 3. Stk., 1090 Wien
  • Tuesday 31.03. 14:15 - 16:00 Seminarraum, Zi. 3354A, Boltzmanngasse 5, 3. Stk., 1090 Wien
  • Tuesday 21.04. 14:15 - 16:00 Seminarraum, Zi. 3354A, Boltzmanngasse 5, 3. Stk., 1090 Wien
  • Tuesday 28.04. 14:15 - 16:00 Seminarraum, Zi. 3354A, Boltzmanngasse 5, 3. Stk., 1090 Wien
  • Tuesday 05.05. 14:15 - 16:00 Seminarraum, Zi. 3354A, Boltzmanngasse 5, 3. Stk., 1090 Wien
  • Tuesday 12.05. 14:15 - 16:00 Seminarraum, Zi. 3354A, Boltzmanngasse 5, 3. Stk., 1090 Wien
  • Tuesday 19.05. 14:15 - 16:00 Seminarraum, Zi. 3354A, Boltzmanngasse 5, 3. Stk., 1090 Wien
  • Tuesday 26.05. 14:15 - 16:00 Seminarraum, Zi. 3354A, Boltzmanngasse 5, 3. Stk., 1090 Wien
  • Tuesday 09.06. 14:15 - 16:00 Seminarraum, Zi. 3354A, Boltzmanngasse 5, 3. Stk., 1090 Wien
  • Tuesday 16.06. 14:15 - 16:00 Seminarraum, Zi. 3354A, Boltzmanngasse 5, 3. Stk., 1090 Wien
  • Tuesday 23.06. 14:15 - 16:00 Seminarraum, Zi. 3354A, Boltzmanngasse 5, 3. Stk., 1090 Wien
  • Tuesday 30.06. 14:15 - 16:00 Seminarraum, Zi. 3354A, Boltzmanngasse 5, 3. Stk., 1090 Wien

Information

Aims, contents and method of the course

The many-electron Schrödinger equation is so complex, that an exact solutions is practically not possible but for the simplest cases, such as one or two electrons. In the lecture, methods are discussed that allow to reduce the complexity of the Schrödinger equation. The methods are applicable to solids and molecules and allow accurate predictions of lattice constants, elastic constants, vibrational frequencies and other materials properties (virtual matter laboratory). The following subjects are discussed: the many electron Schrödinger equations, Hartree-Fock approximation, density functional theory, solving Possion's equation, solving eigenvalue equation, matrix-diagonalization. Instructive example programs for the solution of the aforementioned problems will be discussed.

Assessment and permitted materials

Oral exam

Minimum requirements and assessment criteria

Basic knowledge about density functional theory. Numerical solution of partial differential equations, such as Poisson's equation.

Examination topics

According to the type of the lecture.

Reading list

Association in the course directory

PD250,310,320

Last modified: Mo 07.09.2020 15:40