Time Dependent Quantum Dynamics (2017)

Name of course:

Time Dependent Quantum Dynamics

 

ECTS credits:

1

 

Course parameters:

Language: English

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.

 

Compulsory programme:

Active participation in the theory part.

Active participation in the example problem using the Heidelberg MCTDH package and in the corresponding 2-hour seminar.

 

Course contents:

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

 

Prerequisites:

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:

Lectures

 

Literature:

Course notes (PDF)

 

Course homepage:

None

 

Course assessment:

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.

 

Provider:

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).

 

Time

Theory: 8-11 May 2017 (week 19) 10:00 – 12:00 (Monday – Thursday)

Exercise: 2 hours, exact time to be announced (week 20)


Place:

8 May: Aud. F, 1534-125

9 May: 1525-626, Staff Lounge

10 May: Aud. G2, 1532-122

11 May: Aud D1, 1531-113

Registration:

For registration or if you have any questions, please contact
Oriol Vendrell: oriol.vendrell@phys.au.dk