Date | Teacher | Place | Topic | Lecture notes / comments |
27.01.2011 | Morten Hjorth-Jensen (MHJ). ? | FV329? | Introduction to the course, computing topics and introduction of national supercomputing resources? | The course is based on one large project which has to be approved. The final oral exam is based on this project. The first 4 weeks we will introduce various topics in quantum mechanical many-body physics, with an emphasis on topics relevant for material science, solid state physics and quantum chemistry.The many-body approaches to be studied in the three projects are Hartree-Fock theory, variational Monte Carlo methods, density functional theories and Molecular dynamics. Hartree-Fock theory is covered by the text of Raimes, while VMC methods are discussed in chapters 11, 16 and 17 of the Lecture notes. Density functional theories are discussed in the articles by Jones. Alternatively, the text of Thijssen covers well Hartree-Fock theory, density functional theory and molecular dynamics, see chapter 4-6 and 8-9. It covers also Monte Carlo methods, see chapters 12-14. The first part of the project deals with the development of a variational Monte Carlo program for quantum dots. We will study various closed shell dots using variational Monte Carlo. We start thus with studies of atoms using variational Monte Carlo. Material: Lecture notes chapter 14 and chapter 4.7 on parallelization. ? |
03.02.2011 | MHJ? | FV329? | ? | Discussion of variational Monte Carlo methods and project work.? |
10.02.2011 | MHJ? | FV329? | Variational Monte Carlo? | We discuss importance sampling and how to obtain closed form expressions for the local energy. Slides and Chapter 14 of lecture notes. Project work. This week we should try to finish part 1a and start implementing importance sampling.? |
17.02.2011 | MHJ? | FV329? | Variational Monte Carlo? | Blocking and importance sampling. Project work. This week you should have finished implementing importance sampling and start with implementing blocking. This means that we should try to implement blocking as well. ? |
24.02.2011 | MHJ? | FV329? | Variational Monte Carlo? | Importance sampling and discussion of Green's function, link with diffusion equation. Blocking method and start discussion of the conjugate gradient method.? |
03.03.2011 | MHJ? | FV329? | Variational Monte Carlo? | Minimization of multivalue functions via the conjugate gradient method, chapter 16 of Lecture notes. The minimization method we will discuss is from chapter 10.7 of numerical recipes. ? |
10.03.2011 | No lecture? | FV329? | project work only? | Try to finalize part 1c with blocking and start with part 1d.? |
17.03.2011 | MHJ? | FV329? | Variational Monte Carlo? | Conjugate gradient method and begin with exercise 1e.? |
24.03.2011 | No lecture, only project work? | FV329? | Project work? | Only project work this week.? |
30.03.2011 | MHJ? | FV329? | Hartree-Fock theory and Density Functional theory? | We start discussion the formalism needed to solve the Kohn-Sham equations.? |
07.04.2011 | No lecture? | FV329? | Only project work? | ? |
14.04.2011 | MHJ? | FV329? | Kohn-Sham equations? | We discuss the solution of the Kohn-Sham equations. Literature: chapters 15 and 18 of lecture notes and chapter 4 of Thijssen. The slides are also self-contained. The chapters and the slides contain all relevant info for the HF and DFT parts.? |
28.04.2011 | No lectures, only project work? | FV329? | Project work? | Solution of Kohn-Sham equations.? |
05.05.2011 | MHJ? | FV329? | DFT and project work? | Finalizing the theory part and continuation of DFT solution of the Kohn-Sham equations.? |
12.05.2011 | MHJ? | FV329? | Linking ab initio methods with DFT? | We discuss how to link our VMC calculations with DFT and construct a functional from ab initio methods. This forms also the remaining parts of the project. ? |
19.05.2011 | MHJ? | FV329? | Linking ab initio VMC with DFT? | Theory and project work.? |
26.05.2011 | MHJ? | FV329? | Final lecture? | Final discussion of the project, deadline for hand in is May 31. Tentative time for the oral exam is June 10.? |
10.06.2011 | MHJ? | Department of Physics, UiO? | Final oral exam? | ? |
Teaching plan
Published Jan. 14, 2011 10:20 AM
- Last modified Apr. 7, 2011 9:05 AM