Name of course:
Time Dependent Quantum Dynamics
Level of course: PhD course
Time of year: Q4 2017 (May)
No. of contact hours/hours in total incl. preparation, assignment(s) or the like: 10/25
Capacity limits: None
Objectives of the course:
The main goal of the course is to provide a modern overview of quantum molecular dynamics theory in the time-dependent picture. Techniques and computational tools that are in line with ongoing research are discussed. The Multiconfiguration Time-Dependent Hartree (MCTDH) method is introduced and applied to selected examples.
Learning outcomes and competences:
At the end of the course, the student should be able to:
- Understand different methods to obtain energy resolved observables from time propagated wave packets.
- Understand collocation strategies and DVRs and understand their relation to boundary conditions.
- Understand the utilization of time-dependent variational principles in obtaining equations of motion for a given wavefunction Ansatz.
- Be familiar with representation techniques for the potential function.
- Be familiar with multiconfigurational wave function Ansätze and with their equations of motion.
- Run MCTDH on simple examples.
Active participation in the theory part.
Active participation in the example problem using the Heidelberg MCTDH package and in the corresponding 2-hour seminar.
1) Working equations: Variational Principles
2) Representation of the wave function: DVRs
3) Propagation of the wave function: Integrators
4) Representations of the potential
5) Kinetic energy opertors
6) Analysis of the wave funtion
Three years of study
Name of lecturers:
Theory: Prof. Dr. Hans-Dieter Meyer, Heidelberg University.
Exercise: Assoc. Prof. Oriol Vendrell, Aarhus University
Type of course/teaching methods:
Course notes (PDF)
Students will work on an example problem using the Heidelberg MCTDH package. The outcome of this assignment will be discussed in a 2-hours seminar after the theory part of the course, which will be the basis of the assessment.
Department of Physics and Astronomy
Special comments on this course:
Students will be able to compile the Heidelberg MCTDH package either on their laptops or on their desktop machines (Linux/Mac).
Theory: 8-11 May 2017 (week 19) 10:00 – 12:00 (Monday – Thursday)
Exercise: 2 hours, exact time to be announced (week 20)
8 May: Aud. F, 1534-125
9 May: 1525-626, Staff Lounge
10 May: Aud. G2, 1532-122
11 May: Aud D1, 1531-113
For registration or if you have any questions, please contact
Oriol Vendrell: email@example.com