Lund University

Spectroscopy and the Quantum Description of Matter, Spring Term 2007

Files and links

Schedule, updated 070215

Compulsory reading



  • Andrea: Symmetry
  • Cristina: Fullerenes
  • Evren: Theoretical methods and approximations in condensed matter physics and quantum chemistry
  • Marco: STM and its applications in chemistry
  • Rasmus: Line shapes in XPS
  • Susanna: Inverse photoemission
  • Tomas: Femtosecond measurements of charge transfer processes

Additional Reading

Meetings and instructions

Friday, 9 March, 13.15, in A406
In the first hour we will analyse how to write a good article. Reading suggestions can be found here. In particular we'll have a look at H. W. Kroto et al., Nature 318 (1985) 162, which reports on the identification of C60.
My powerpoint material can be found here.

Then we'll take some time to go through scanning tunnelling microscopy, using Anders Mikkelsen's material.

Thursday, 8 March, 9.15, in H530
Since the last meeting had to be cancelled due to the snowstorm over Skåne we will talk about x-ray absorption spectroscopy today.

Week 9: Calculational project: photoemission spectra of Ar and CO
The goal of this project is learn about how to analyse a photoelectron spectrum quantitatively and to learn how to write and use a curve fitting procedure in MAX-lab. The introductory notes from the meeting on 26 February are available in pdf- and Microsoft Powerpoint format. The files relevant for performing the project work can be found at and

Absolutely final deadline now for handing in the report: 16 April!

Thursday, 22 February, 9.15, in A406
Today we want to talk about x-ray absorption spectroscopy. As I write in the reading instructions for today, there unfortunately is no really suitable compact reading that covers the aspects of XAS that I would like to talk about. Therefore I add a rather extensive list of scientific texts. Please follow the reading instructions, otherwise you are not going to make it! The reading is the following:
Selected parts of my thesis,
A. Nilsson et al., Chem. Phys. Lett. 197 (1992), 12,
R. Ahuja et al., Phys. Rev. B 54 (1996) 14396,
M. Nyberg et al., Phys. Rev. B 60 (1999) 7956, and
J. Schnadt et al., Phys. Rev. B 67 (2003) 235420.
The discussion questions for the meeting can be found here.

Tuesday, 20 February, 9.15, in H530
Originally it was planned to look into x-ray absorption spectroscopy today. Since we didn't really make it through all of ARUPS we postpone this discussion to next Thursday. In turn, the course section on scanning tunnelling microscopy and spectroscopy will be shorter than planned. Please take some time to have a look at the discussion questions from last time and go also back to the reading for the meeting on last Thursday. We only can have a fruitful discussion if you do work with the reading!

Thursday, 15 February, 9.15, in A406
Now it's time for Ultraviolet photoelectron spectroscopy and with that we return to the quantum physics of the solid state. The reading material is quite extensive; however, some of it is only thought as a reference and recollection of things that you should have heard before. This refers in particular to chapters 7 and 9 of C. Kittel, Introduction to Solid State Physics, 7th edition, John Wiley & Sons, New York, 1996. What you definitely should read is contained in the book by Woodruff and Delchar, Modern Techniques of Surface Science, 2nd edition, Cambridge University Press, Cambridge, 1994 (pages 105 to 112 and 212 to 242, although you don't have to read all of it). You also should have a look at chapter 7 of S. Hüfner, Photoelectron Spectroscopy, 2nd edition, Springer-Verlag, Heidelberg, 1996. More detailed reading instructions can be found here. A list of discussion questions for the meeting can be found here. Please remember that we we'll start with the remaining discussion questions on photoelectron spectroscopy from the question sheet of our meeting on 1 February.

Monday, 12 February, 13.15, in H530
We will talk about potential energy curves and transitions between these curse. Please read the compendium by Stacey that has been handed out.

During the meeting we will also discuss the calculational project on the analysis of photoelectron spectra that you should do during week 9. Further information is available from

Thursday, 8 February, 9.00, in A406
Today's subject is molecular symmetry. Please read the following before the lecture:

Compendium by Stacey.

Tuesday, 6 February, 9.15, in H530
We'll have a look at the quantum mechanical description of molecules and bonds, especially using the MO-LCAO ansatz. The reading can be found here:

Compendium by Reinhold Fink.

You will also get the first exercise sheet, to be handed in on 13 February.

The exercises from the compendium should be handed in on 20th February.

Thursday, 1 February, 9.15, in A406
Things will get more applied now: we start with looking at photoelectron spectroscopy, and we will discuss the simple photoelectron spectra from atoms. However, before that, we will finish the discussion on line broadening effects.

The reading is the following:

S. Hüfner, Photoelectron Spectroscopy, 2nd edition, Springer, Heidelberg, 1996, pages 1 to 34, 145-146.

D. P. Spears, H. J. Fischbeck, and T. A. Carlson, Phys. Rev. A 9 (1974) 1603.

Start with the material in Hüfner's book, simply from the beginning.

The questions for our discussion can be found here: discussion questions for the third meeting

Tuesday, 30 January, 13.15, in A406
We will continue with looking at the Interaction of radiation with matter. However, since you now all have the chance to read the material before the meeting, I'll go through it in much less detail. Therefore: please go on with reading the material that is listed for Thursday, 25 January.

I have completed the compendium on the interaction of light with matter and you now find it here.

A task before our meeting is to calulate the ratio between the two interaction Hamiltonians for different portions of the electromagnetic spectrum (e.g., visible light, soft x-rays, hard x-ray, gamma rays, radio frequencies). When is the dipole approximation applicable?

We will then discuss the questions on these sheets: discussion questions for the second meeting

Thursday, 25 January, 13.15, in A406
The reading for the first two lectures is the following (I might update the list after our meeting on Thursday):

Jackson, Classical Electrodynamics, 2nd Edition, pages 572 to 575

Cohen-Tannoudji, Diu, Laloë, Quantum Mechanics, Vol. 2, Complements A-XIII and D-XIII, Appendix III-4-b

Hollas, Modern Spectroscopy, 4th Edition, pages 34 to 39

Svelto, Principles of Lasers, 3rd Edition, section 2.3.3 (Line-Broadening Mechanisms)

I'll give a rather traditional lecture, since I don't know whether there will be more students coming. It would, nevertheless, be good if you could read the pages in Jackson and the material in Cohen-Tannoudji. If you can't make all of the Cohen-Tannoudji, start with Complement A-XIII. If you don't know Lagrangian mechanics, don't despair when reading the Jackson. The important stuff is to get a feeling for the Hamiltonian of the particle interacting with radiation. One comment regarding the Svelto reading: accept formula (2.46) - of course you should try to make some sense of it, but it is not really necessary that you know all about how to derive it. The focus here should be on the broadening mechanisms! Read Hollas before Svelto.

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
och Stacey Sörensen
Senaste uppdatering: 070510