Lund University

Spectroscopy and the Quantum Description of Matter FYST20, Spring Term 2008

Files and links

Schedule, updated 21 January 2008

Compulsory reading

Additional Reading



The H2+ project

The CO project
Responsible for the CO project is Joakim Laksman from the Department of Synchrotron Radiation Research.


Experimental data:
Argon, 3p spectrum
Carbon monoxide, C 1s spectrum
Carbon monoxide, valence spectrum

Meetings and instructions

Start meeting, 21 January 2008, A406
Questionnaire from the start meeting

Please read the compendium on the interaction of radiation with matter prior to our next meeting.

Meeting, 23 January 2008, H322
We'll start the course by discussing the quantum mechanics of the interaction of radiation with matter. The points that we want to discuss are the following:
  • What is spectroscopy?
  • The form and derivation of the Hamiltonian which describes the interaction of light with a charged particle (electron!)
  • The transition matrix element of the interaction Hamiltonian
  • The derivation of Fermi's Golden Rule for the transition from a discrete state to a continuum state
Some part of the meeting will be a lecture, some of it will be made up from a discussion by yourselves. Discussions questions can be found here.
Please consider the questions on the question sheet until our next meeting.

Meeting, 25 January 2008, H322
Since we didn't finish all of the points planned for last lecture, we'll first go on with the derivation of Fermi's Golden Rule.

We'll then have a look at a couple of theoretical methods for electronic structure calculations (Hartree, Hartree-Fock, Density functional theory). The goal is to develop some understanding for the purpose and limits of each of them. To this end, please read the following (reading instructions are found here):
  • J.M. Hollas: Modern Spectroscopy, John Wiley & Sons, Chichester, 2004, pp. 199-200
  • H. Haken and C. Wolf: The Physics of Atoms and Quanta, Sixth Edition, Springer, Berlin, Heidelberg, 2000, pp. 335-344
  • A Groß: Theoretical Surface Science, Springer, Berlin, Heidelberg, 2003, pp. 36-41
We'll cover this subject primarily by discussing. Please find the discussion questions here.

Please consider the questions on the question sheet until our next meeting.

Meeting, 28 January 2008, H530
Today we would like to have a look at how to determine the wave functions and energy levels of an hydrogenic atom, H2+, and H2. Important concepts are the Born-Oppenheimer approximation, LCAO method, secular equations, spin orbitals, Slater determinants, and Configuration interaction. The lecture notes from this lecture can be found here.

You also might want to read the compendium by Reinhold Fink on electronic structure and the H2 molecule.

Other reading of interest is the following:

Meeting, 30 January 2008, H530
Today's subject is Molecular symmetry. It would be good if you could read the material prior to the lecture.

Meeting, 4 February 2008, H322
Since we didn't finish last time, we'll go on with Molecular symmetry. Furthermore, Joakim will give an introduction to the CO project, that you should work on during the next two weeks. After that we'll get started with 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:

Until next time please think about the questions on the question sheet.

Meeting, 13 February 2008, H322
We'll go on with our discussion of Photoelectron spectroscopy. Until our next meeting please consider the first question on the question sheet. You will also receive an exercise sheet with exercises to be solved until 3 March.

Meeting, 18 February 2008, H530
Today it is time to choose the project that you should work on during the last part of the course. We'll will also talk about the requirements on your report and presentation.

More specifically, you find instructions and a list of possible projects here. You also may choose a different subject, but you have to consult us before.

We'll start the discussion of 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.

Meeting, 20 February 2008, H322
Today we'll finally get started with ultraviolet photoelectron 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.
We'll discuss the questions on the discussion question sheet. Please consider the second question on the question sheet until next time.

Measurement at MAX-lab, 21 February, MAX-lab, beamline I511
We'll meet at MAX-lab, Ole-Römers-väg 1, at 8 p.m. for performing x-ray photoelectron spectroscopy measurements on highly oriented pyrolite graphite.
Please answer the questions on the second exercise sheet, which are concerned with the spectra, which we measured at MAX-lab. These spectra can be found in the following list:

Meeting, 27 February, H322
Today's subject is 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.

Meeting, 5 March, H322
This time is about 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).

Meeting, 13 March, A406
Welcome to our final lecture, which will be on Scanning tunnelling spectroscopy. Please find my Powerpoint presentation here.

Project presentations, 17 March, 10 a.m., and 4 April, 10 a.m., A406
Now it is time for you to present the results of your projects and to discuss what you've learnt. The projects were the following:
  • Viktor: Femtosecond spectroscopy (opponent: Griffin),
  • Griffin: LEEM and PEEM (opponent: Quentin),
  • Quentin: Spectroscopy on C60 (opponent: Viktor),
  • Andreas: The relationship between valence and Auger spectroscopies (opponent: Monika),
  • Monika: Theoretical methods in chemistry (opponent: Andreas).
An important part of the discussions after the presentation will be to give (constructive) feedback to the presenters, not only on the physics and chemistry contents of their talks, but also on their way of presenting the material!

Now the course is finished. Thank you for a stimulating and rewarding teaching experience!

Kursen ges av Avdelningen för synkrotronljusfysik.
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och Stacey Sörensen
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