Lund University

Spectroscopy and the Quantum Description of Matter FYST20, Spring Term 2009

Welcome to the spring term 2009 homepage of the "Spectroscopy and the Quantum Description of Matter" course. We will start the course with a start meeting on 20th January 2009, 15.15, in H322 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



Meetings and instructions

Start meeting, Tuesday, 20th January 2009

Here is a link to the questions from the first meeting: Question sheet

Please start reading the compendium on the interaction of matter with light. You don't have to read all of it until Thursday, but it would be good if you got started. Some of you might not be used to the formalism, which employs notation and terms from special relativity, quantum mechanics, and analytical mechanics. In this case you shouldn't be worried; things will become considerably easier and less theoretical. View it as a chance of catching a glimpse of the theoretical foundations of spectroscopy.

Thursday, 22nd January 2009

We started with looking at the interaction of matter with light.

Tuesday, 27th January 2009

We continued with discussing the interaction of matter with light with the help of the discussion questions sheet. Our particular focus was the dipole approximation, Fermi's Golden rule, and the Kramers-Heisenberg formula.

Thursday, 29th January 2009

We will finish the discussion of the theoretical background on the interaction of light and matter. We'll then start 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, and here is a link with our discussion questions.

Joakim will furthermore give an introduction on XPS and the "calculation project". The data for the project is found here:
Argon, 3p spectrum
Carbon monoxide, C 1s spectrum
Carbon monoxide, valence spectrum

Tuesday, 3rd February 2009

We'll finish off our discussion of the Hartree-Fock and DFT methods, and then it's time to go over to molecules. Please start reading the compendium by Reinhold Fink on the chemical bond.

Thursday, 5th February 2009, Tuesday, 10th February 2009

We'll have a look at the chemical bond as well as the topic of molecular symmetry. Then we'll get started with photoelectron spectrocopy.

Thursday, 12th February 2009, Tuesday, 17th February 2009, Thursday, 19th February, H322

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. Please read the following prior to the meeting:

In addition, we'll also have a look at possible examination projects. You also may choose a different subject, but you have to consult me before starting.

We'll then discuss how to write a report and prepare and give a presentation by analysing the paper by H. W. Kroto, J. R. Heath, S. C. O'Brien, R. F. Curl, and R. E. Smalley on the discovery of the Buckminster Fullerene C60, which you can find here: Nature 318 (1985) 162. We will then go through our requirements on your report and presentation. Some useful reading is listed here.


Here is a list of your projects:

  • Tobias: Inverse photoemission spectroscopy
  • Matthias: Energy loss spectroscopy
  • Nico: Resonant methods in photoelectron spectroscopy
  • Paul: Anle-resolved photoemission spectroscopy
  • Linus: Femtosecond spectroscopy
  • Fabian: Hydrogen bonding and electron spectroscopy
  • Florian: Infrared spectroscopy
  • Rahele: Theoretical description of STM and STS
  • Anna: Spectroscopy on C60 and other fullerenes
  • Jörg: PEEM and LEEM
  • Martin: Resonant inelastic x-ray scattering on gas phase molecules
  • Christian: Electron-electron coincidence spectroscopy
Those of you who are not listed contact me as soon as possible for deciding about a project.

If you have problems in finding the "starting literature" contact me - I have some of it in my office.

Tuesday, 24th February 2009, Thursday, 26th February 2009, H322
Now we'll get started with angle-resolved photoemission spectroscopy. Please find the reading instructions here. The instructions refer to
  • C. Kittel: Introduction to Solid State Physics, 7th Edition, John Wiley & Sons, New York, 1996 (for your reference),
  • S. Hüfner: Photoelectron Spectroscopy, 2nd Edition, Springer, Berlin, 1996, pp. 297-303 and, if you have time, section 7.4.1,
  • D. P. Woodruff and T. A. Delchar: Modern Techniques of Surface Science, 2nd Edition, Cambridge University Press, Cambridge, 1994.
The questions for discussion are found here.

Measurements at MAX-lab

Here are the spectra and exercise for group 1:

And here are the spectra and exercise for group 2:

Here are two links to XPS binding energies on the internet:
Nanoscience at the University of Nottingham
National Institute of Standards and Technology

Tuesday, 3rd March 2009, Thursday, 5th March 2009, H322

The idea is to talk about x-ray absorption spectroscopy. Please read Georg Hähner's review article on XAS prior to our meeting. As usual, we'll then discuss the questions on the discussion question sheet.

Tuesday, 10th March 2009, Thursday, 12th March 2009, H322

The topic is Scanning tunnelling microscopy. You can find my powerpoint presentation here. I'll present the theory of STM with the help of the whiteboard, a copy of my notes is here. These notes are primarily based on an article by A. D. Gottlieb and L. Wesoloski in Nanotechnology (I don't agree with all their arguments, but with most of them).

Project and questioner list

Here is the project list again, this time with the questioners. Please send a first version of the report to the questioner as soon as possible; please do also send the final version once it's finished.

  • Tobias: Inverse photoemission spectroscopy, questioner: Christian
  • Matthias: Energy loss spectroscopy, questioner: Anna
  • Nico: Resonant methods in photoelectron spectroscopy, questioner: Rahele
  • Paul: Anle-resolved photoemission spectroscopy, questioner: Martin
  • Linus: Femtosecond spectroscopy, questioner: Paul
  • Fabian: Hydrogen bonding and electron spectroscopy, questioner: Jörg
  • Florian: Infrared spectroscopy, questioner: Tobias
  • Rahele: Theoretical description of STM and STS, questioner: Johannes
  • Anna: Spectroscopy on C60 and other fullerenes, questioner: Nico
  • Jörg: PEEM and LEEM, questioner: Linus
  • Martin: Resonant inelastic x-ray scattering on gas phase molecules, questioner: Matthias
  • Christian: Electron-electron coincidence spectroscopy, questioner: Fabian
  • Johannes: Fermi surfaces and ARUPS, questioner: Florian

Presentation time table

Now here comes the time table for your presentations:

Wednesday, 25 March

13.15 Tobias
13.45 Matthias
14.15 Nico
14.45 Fabian
15.15 Florian
15.45 Jörg
16.15 Christian

Thursday, 26 March

15.15 Rahele
15.45 Anna
16.15 Johannes
16.45 Martin
17.15 Linus

As you see, I have reserved half an hour for each of you, but I suspect that it won't take longer than 20 to 25 min per person. Thus the indicated times are tentative. In this way we'll also be able to have some breaks.

You are supposed to be present at all presentations.

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: 090323