Program week 2

Monday January 26, in Delfinen at 10.00 a.m.

Lectures on...

  1. The individuality of atoms in molecules and materials, cont. (BL),
  2. The DFT as a basis (BL).

Monday - Friday:

  1. Computer exercises:
  2. Project: The project list will successively grow. Have a look now and then to see what the problems are like. If you have made up your mind: Sign up on the sign-up list
  3. Some easy homework problems will come during this week.
  4. Quiz: The first one will come late this week. In the meantime: Read the question list and get familiar with typical questions!
Friday January 30, in Delfinen at 10.00 a.m.:
Lectures on...
  1. Molecular calculations, in short (PH)
  2. Simplified formalism for chemical bonding: Model potentials (ES)
  3. Monte-Carlo & molecular-dynamics simulations, in short (ES)
  4. LCAO tight-binding picture of molecules and solids (SG)
  5. Solving the Kohn-Sham equations in periodic solids; Supercells (SG)

Textansvarig: Bengt Lundqvist