Lund University

Spectroscopy and the Quantum Description of Matter FYST20, Spring Term 2010

Welcome to the spring term 2010 homepage of the "Spectroscopy and the Quantum Description of Matter" course. We will start the course with a start meeting on 19th January 2010, 15.15, in H530 at the Department of Physics.

The course is intended to show you how one can use spectroscopy methods to gain a quantum mechanical understanding of the properties of different forms of matter. Therefore we will study both certain aspects of the quantum mechanical description of matter as well as different spectroscopy methods.


Joachim Schnadt,, phone: 046 - 2220469
Denis Céolin,, phone: 046 - 2220469
Joakim Laksman,, phone: 046 - 2224126


A schedule is available from here. To some extent we will be able to modify it according to the students' needs - we will discuss possible changes during the start meeting.

Form of teaching

Lectures: The teacher will typically give a rather brief presentation and then we will discuss both in smaller groups and with the entire course. This requires that you read the material, which is handed out during the preceding lecture, prior to the meeting.

Questions: At each meeting a couple of short questions will be given on the reading material for the following lecture. It is compulsory to hand in (short) written answers.

Hand-in problems: During the course you will receive three exercise sheets with problems to be solved. The solutions should be handed in by the dates indicated in the schedule.

Project on the valence and core electronic structure of molecules: Calculation exercise to be solved in MAT-lab. Written report.

Project: You should investigate a particular subject with the realm of modern spectroscopy. You may choose a subject by yourself, but this has to be agreed upon by the teachers. Alternatively, you choose a subject from a list provided by the teachers. The list from last year is reproduced below. In the course of the project you are responsible for finding suitable material by yourself, although you will be provided with a starting point. You should go through the material and try to understand it, in order to then prepare a written report as well as an oral presentation to be given in front of your fellow students.


Hand-in problems (25% of the final grade).

Report on the project on the valence and core electronic structure of molecules (25% of the final grade).

Written report and oral presentation of the project (one project per participant) (together 50% of the final grade). Each report is examined by one of the other course participants, who also should "oppose" during/after the oral presentation.

Handing in the questions provided each lecture is compulsory and thus a part of the examination. Active participation is compulsory, as well.


ECTS grading:
A - 90% to 100% (Väl godkänt)
B - 80% to 89.99% (Väl godkänt)
C - 70% to 79.99% (Godkänt)
D - 60% to 69.99% (Godkänt)
E - 50% to 59.99% (Godkänt)
F (fail) - below 50% (Underkänt)

Course material

Files and links

Compulsory reading

Additional Reading



Electronic structure of molecules
Project teacher: Joakim Laksman, Division of Synchrotron Radiation Research.
Experimental data:
Argon, 3p spectrum
Carbon monoxide, C 1s spectrum
Carbon monoxide, valence spectrum

Meetings and instructions

Start meeting, Tuesday, 19th January 2010

Until the meeting on Thursday please read the article on XAS by G. Hähner and the excerpt on XPS from the book by Attard and Barnes. You also may get started with reading the compendium on the interaction of matter and light, even though we will get started with that one not before next week. If you don't understand everything and don't know all the concepts - it doesn't matter. Try instead to focus on understanding what actually is going on!

Thursday, 21st January 2010

We have discussed x-ray photoelectron spectroscopy (XPS) and x-ray absorption spectroscopy (XAS) in groups. The questions on the question sheet were used as a basis for your discussions. In the common discussion we took up XPS using this powerpoint presentation as a guide, and we will continue with discussing XAS next time.

Until our next meeting on Tuesday, 26th January 2010, please read the first part of the compendium on the interaction of matter and light (around half of it will do until Tuesday; the rest you will have to read until the meeting on Tuesday, 2nd February 2010).

Tuesday, 26th January 2010

In the first part of the meeting, Joakim will present the project on the core and valence electronic structure of molecules (see project information above).

We will then continue with our discussion of x-ray absorption spectroscopy.

Furthermore we will get started with the interaction of matter and light using the questions on sheet 1 and sheet 2.

Tuesday, 2nd February 2010

Due to the snow storm no lecture today.

Thursday, 4th February 2010

We go on with discussing the interaction of light and matter.

Tuesday, 9th February 2010

We will, finally, finish off our discussion of the interaction of light and matter. We'll then getting started with discussing two methods for quantum mechanical calculations, namely the Hartree-Fock and Density functional theory (DFT) methods. Reading: a short excerpt from J. M. Hollas: Modern Spectroscopy, pp 199-200, who nicely introduces the idea of the Hartree-Fock method; the section on the Hartree and Hartree-Fock methods in Haken & Wolf: The Physics of Atoms and Quanta, section 19.4; and the section on DFT in A. Groß: Theoretical Surface Science, section 3.3. Reading instructions can be found here.

The questions for our discussion are found on the HF/DFT question sheet.

Thursday, 10th February 2010

Today, it is time to choose the subject for your project work. Here is a list with suggestions:

  • Inverse photoemission spectroscopy
  • Resonant methods within photoelectron spectroscopy
  • Femtosecond measurements of electron transfer processes using laser spectroscopy
  • Pump probe spectroscopies, two-photon spectroscopies
  • Infrared spectroscopy
  • Theoretical description of scanning tunnelling microscopy and spectroscopy
  • Symmetry in spectroscopy
  • Spectroscopy on C60 and other fullerenes
  • Theoretical methods in spectroscopy
  • Semiconductor surfaces studies by PEEM and LEEM
  • Surface states
  • Very high resolution photoelectron spectroscopy
  • Quantum well states studied by photoelectron spectroscopy
  • Hydrogen bonding studied by electron spectroscopies
  • Adsorption of complex molecules on surfaces studied by electron spectroscopy
  • Electron spectroscopy studies of graphene
  • Extended x-ray absorption fine structure (EXAFS)
You are welcome to choose your own subject, as well.

We will also talk about how to write a present and prepare and give a presentation. As an example we will use the article on the discovery of the C60 fullerene. Instructions for your own report and the project can be found here. The requirements for the report and oral presentation can be found here.

If time allows, we will get started with looking at X-ray photoelectron spectroscopy on molecules. Reading for this part is as follows:

Questions for your discussions are here.

Tuesday, 16th February 2010

Today's subject is chemical bond in molecules.

Thursday, 18th February 2010

Today's subject is symmetry in molecules.

We'll also meet for a couple of XPS measurements at MAX-lab.

Here you find the hand-in exercise on the measurements performed at MAX-lab. You also need the following files:

Tuesday, 23rd February 2010

Thursday, 25th February 2010, Thursday, 4th March 2010

The topic of the two meetings is photoelectron spectroscopy - or rather various aspects relevant to photoelectron spectroscopy. The questions for our discussion as well as reading instructions are provided on the Discussion questions sheet (it is from last years -- sorry, I didn't have the time to prepare a new question sheet).

Please read the following prior to the meeting:

After that we'll continue with the discussion of XAS, which we started on 2nd March (see below, actually). Relevant reading is Georg Hähner's review article on XAS.

Tuesday, 2nd March 2010

Denis introduces the basics of x-ray absorption spectroscopy (XAS).

Tuesday, 9th March 2010

Today we'll finish the discussion of XAS by briefly comparing three methods, which provide information on the unoccupied states of a sample: XAS, 2P-PES, and IPES.

Then we get started on angle-resolved ultraviolet photoemission. Relevant reading is the following:

  • C. Kittel: Introduction to Solid State Physics, 7th Edition, John Wiley & Sons, New York, 1996,
  • S. Hüfner: Photoelectron Spectroscopy, 2nd Edition, Springer, Berlin, 1996, pp. 297-303 and section 7.4.1 (or corresponding parts from the 3rd Edition of Hüfner's book from 2003),
  • D. P. Woodruff and T. A. Delchar: Modern Techniques of Surface Science, 2nd Edition, Cambridge University Press, Cambridge, 1994.

Thursday, 11th March 2010

After finishing the discussion of ARUPS we'll have a look at Scanning tunneling microscopy (STM). Prior to the lecture please read the article by A. D. Gottlieb and L. Wesoloski in Nanotechnology.

Kursen ges av Avdelningen för synkrotronljusfysik.
Adress: Sölvegatan 14, S-223 62 Lund, Sweden
Telefon: +46 (0)46-222 00 00, Fax: +46 (0)46-222 42 21
Kursansvarig: Joachim Schnadt
Senaste uppdatering: 100309