Spectroscopy of materials

Duration

20h Th, 10h Pr

Number of credits

Lecturer

Matthieu Verstraete

Language(s) of instruction

English language

Organisation and examination

Teaching in the first semester, review in January

Schedule

Schedule online

Units courses prerequisite and corequisite

Prerequisite or corequisite units are presented within each program

Learning unit contents

Different spectroscopic techniques are presented, with particular attention to electronic and vibrational spectroscopies.
The first part of the course covers the general theory of time dependent perturbations, and the derivation of several particular cases (at least IR and optical absorption).
The second half covers learning the basic usage of an ab initio spectroscopic simulation program (OCTOPUS), and the calculation of a basic spectrum, to be compared with experimental data.

Learning outcomes of the learning unit

To gain an overview of different types of spectroscopy, and a deeper understanding of 1) how they relate to theories which can predict them and 2) how one can go about simulating a spectrum in practice.
An additional outcome will be practical experience with a numerical simulation program.

Prerequisite knowledge and skills

Basic Physics
Quantum mechanics
Electron-EM field interactions

Planned learning activities and teaching methods

The second half of the course will be done on workstations, following on-line tutorials to learn and then use an ab initio simulation package.

Mode of delivery (face to face, distance learning, hybrid learning)

The first half of the course is face-to-face. The second half is carried out in the Physics Department computer rooms.

Organisational adjustments related to the current health context

Under green, yellow, or orange "code" conditions, the courses, tutorials, and exams will be held normally, if need be in a larger auditorium, depending on the class population.
Code red: classes and practical sessions will be held online (zoom or BBcollaborate), with a common connection to the calculation clusters. If need be, exams will be held online as well, in a common session on BBcollaborate, with a report to be handed in ahead of time as a single pdf file by email.

Recommended or required readings

Slides used in class are available on MyULG in pdf format (in French for the moment)
Main references:

• JJ Sakurai Modern Quantum Mechanics, Addison Wesley 1995, ISBN-10: 0201539292

• JJ Sakurai Advanced Quantum Mechanics, Addison Wesley 1967, ISBN-10: 0201067102

• Time-Dependent Density Functional Theory, M.A.L. Marques et al. (Ed), Springer, ISBN-10: 3540354220

Assessment methods and criteria

Below you will find information on the evaluation methods planned for in-person and remote exams as well as those planned for hybrid sessions. Depending on how the health crisis evolves, the chosen method will be communicated to you no later than one month before the start of the exam session.

The exam is in 2 parts:

• a written report on the simulations which were carried out
• a 10-15 minute oral presentation (conference style)

Work placement(s)

Organizational remarks

Contacts

Prof. Matthieu Verstraete
Universite de Liège Physics Department, Bat. B5, office 3/7 Allée du 6 aout, 19 B- 4000 Sart Tilman, Liège Belgium
Phone : +32 4 366 90 17 Fax : +32 4 366 36 29
Mail : matthieu.verstraete@uliege.be

Items online