FYS4410 - Spring 2009

Teaching plan

DateTeacherPlaceTopicLecture notes / comments
14.01.2009Morten Hjorth-Jensen (MHJ). Eirik Gramstad (EG) will be at the lab every thursday.  Lille Fysiske Auditorium  Introduction to the course, computing topics and introduction of national supercomputing resources  The course is based on two large projects which have to be approved. The final oral exam is based on these projects.

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. 

15.01.2009MHJ and EG  FV311  Introduction to quantum mechanical studies of atoms and solid state physics  The first project deals with the development of a variational Monte Carlo program for atoms. We will study the He, Be and Ne atoms using variational Monte Carlo. We start thus with studies of atoms using variational Monte Carlo. Project one is also presented. Material: Lecture notes chapter 11 and chapter 7.7 on parallelization. 
21.01.2009No lecture but lab, EG      MHJ is teaching at a school in South-Africa, no lectures but Eirik Gramstad will discuss the titan facility. 
22.01.2009No lectures and lab       
28.01.2009MHJ  LFA  Variational Monte Carlo  We discuss the construction of Slater determinants and importance sampling. Chapter 16 of lecture notes. 
29.01.2009MHJ and EG  FV329  Variational Monte Carlo  Computation of Slater determinants and importance sampling. 
04.02.2009MHJ  LFA  Variational Monte Carlo  Importance sampling and discussion of Green's function, link with diffusion equation. Chapter 16 of Lecture notes. 
05.02.2009MHJ  FV329  Variational Monte Carlo  Slater determinants and blocking. 
11.02.2009MHJ  LFA  Variational Monte Carlo  Discussion of the blocking method for getting statistical good data. Chapter 16 of lecture notes. 
12.02.2009MHJ and EG  FV329  Variational Monte Carlo  Blocking method and minimization of multivalue functions via the conjugate gradient method, chapter 16 of Lecture notes. 
18.02.2009MHJ  LFA  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. We will also discuss more formally the calculation of the Jastrow factor and the Slater determinant. 
19.02.2009MHJ and EG  FV329  Variational Monte Carlo  Minimization of multivalue functions via the conjugate gradient method, chapter 16 of Lecture notes. Jastrow factor and Slater determinant. 
25.02.2009MHJ  LFA  Wave functions  We discuss the Slater determinant and the Jastrow factor and possible single-particle wave functions. 
26.02.2009MHJ and EG  FV329  Wave function and conjugate gradient method  We discuss how to optimize the wave function and show some simple examples on how to run the conjugate gradient method. 
04.03.2009MHJ  LFA  Slater determinants and diffusion Monte Carlo  We end our discussion on how to implement the wave function via the correlated part and the Slater determinant. 
05.03.2009MHJ and EG  FV329  Final discussion of project 1  We summarize project 1. 
11.03.2009MHJ  LFA  Hartree-Fock theory and density functional theory (DFT)  We start with HF and DFT, chapters 16 and 18 of lecture notes or chapters 4-6 of Thijssen's text. Hartree-Fock theory and choice of basis functions, chapter 16 of lecture notes. 
12.03.2009MHJ and EG  FV329  Hartree-Fock equations  We derive the Hartree-Fock equations by varying the single-particle wave functions. Literature: chapter 16 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 Hartree-Fock part. 
18.03.2009MHJ  LFA  Hartree-Fock equations  We discuss how to derive the HF equations by making an expansion of the single-particle wave functions in terms of a basis of single-particle wave functions.  
19.03.2009MHJ and EG  FV329  Hartree-Fock  We discuss various eigenvalue solvers needed to solve the Hartree-Fock equations. We continue also our discussion of project 1. 
25.03.2009MHJ  LFA  DFT  Chapter 18 of lecture notes or chapters 5 and 6 of Thijssen. Project two is presented. 
26.03.2009MHj and EG  FV329  DFT  Chapter 18 of lecture notes or chapters 5 and 6 of Thijssen. 
01.04.2009MHJ  LFA  DFT  Chapter 18 of lecture notes or chapters 5 and 6 of Thijssen. 
02.04.2009MHJ and EG  FV329  Finalizing project 1  We finalize project 1, no lecture, only lab. 
15.04.2009MHJ  LFA  DFT  Chapters 5 and 6 of Thijssen. 
16.04.2009MHJ and EG  FV329  DFT  Chapters 5 and 6 of Thijssen. Work on project 2. 
23.04.2009EG  FV329  Project 2  Only Lab this week. 
30.04.2009EG  FV329  Project 2  Only lab this week. 
07.05.2009MHJ and EG  FV329  DFT  Chapters 5 and 6 of Thijssen. Work on project 2. 
13.05.2009MHJ  LFA  DFT  Chapter 5 of Thijssen.  
14.05.2009MHJ and EG  FV329  Project 2  Only project work, no lecture. 
20.05.2009MHJ  FV329  Only lab  project 2 
27.05.2009MHJ  LFA  No lecture   
28.05.2009MHJ and EG  FV329  Project 2  Final discussion of project 2, deadline for project 2 is 31 May. The oral exam takes place Monday 15 June. 
15.06.2009MHJ  Department of Physics, UiO  Final oral exam   
Published Jan. 4, 2009 6:45 PM - Last modified May 13, 2009 2:14 PM
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