Computational quantum dynamics – Overview
About the lecture
Time and placeTue, 16:00 - 18:00, c.t.
Theresienstrasse 37 - A449
LECTURE CANCELLED (2017/2018)
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.
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
- 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