Fakultät für Physik




Computational quantum dynamics – Overview

  • Overview


About the lecture

Time and place

Tue, 16:00 - 18:00, c.t.
Theresienstrasse 37 - A449



A hands-on course on techniques for the computational solution of few-body quantum problems. First methods and the tRecX code package will be introduced, during the second half of the course students will have the opportunity to actively apply the methods to realistic problems by project groups of 2-4 students. A seminar-style presentation of results should be given towards the end of the course.


Basic knowledge of quantum mechanics and knowledge and first practical experience with C++.

Crediting of the course (3 ECTS)

A "passed" can be given based on presentation of the programming project. Individual grades on the scale 1-5 require an (oral) exam.

Topics (tentative)

Discretizations: Gaussians, Slater, FEM, DVR, FFT
Energies and dynamics of atoms and molcules: Configuration-Interaction, Hartree-Fock, Born-Oppenheimer
Introduction to symmetries: exchange, spin, and angular momentum
Evaluation of Green's functions using L2 methods

Lecture notes

The first few lectures will make use of my notes on "Computational Physics" .
More scattered notes, constantly updated, you find here here.

Useful literature

  • Puls, Stintzing, Kerscher: Numerik für Physiker (lecture notes)
  • Szabo, Ostlund, Neil: Modern Quantum Chemistry: Introduction to Advanced Electronic Structure Theory.
  • Thijssen: Computational Physics
  • Golub, vanLoan: Matrix Computations
  • Prata: C++ Primer Plus

Verantwortlich für den Inhalt: Armin Scrinzi