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PhD course in Electronic Structure Theory

Igor Abrikosov, Weine Olovsson and Olga Vekilova

Program

Lecture 1. Friday, 11-10-14, Mott, kl. 10

General information and introduction into the course. Theoretical background. Tasks for the electronic structure theory.     

Literature: Richard M. Martin, Electronic Structure. Basic Theory and Practical Methods (Cambridge University Press, Cambridge, 2004), Ch. 1, 2, 3.1, 3.2    

  

Lecture 2. Monday, 11-10-24, Mott, kl. 10

Periodic solids and electronic bands. Many-body problem. Uniform electron gas.

Literature: Richard M. Martin, Electronic Structure. Basic Theory and Practical Methods (Cambridge University Press, Cambridge, 2004), §§   4.1-4.3,4.7, 3.5, 3.6, 5

 

Lecture 3. Friday, 11-10-28, Mott, kl. 10

Density functional theory: foundations. Kohn-Sham ansatz.

Literature: Richard M. Martin, Electronic Structure. Basic Theory and Practical Methods (Cambridge University Press, Cambridge, 2004), Ch. 6-7

 

Lecture 4. Tuesday, 11-11-01, Mott, kl. 10

Functionals for exchange and correlation.  

Literature: Richard M. Martin, Electronic Structure. Basic Theory and Practical Methods (Cambridge University Press, Cambridge, 2004), Ch. 8

 

Lecture 5. Friday, 11-11-11, Mott, kl. 10

Self-consistent band structure calculations for periodic solids.

Literature: Richard M. Martin, Electronic Structure. Basic Theory and Practical Methods (Cambridge University Press, Cambridge, 2004), Ch. 9,10, §§3.3,4.4-4.6

 

Lecture 6. Tuesday, 11-11-22, Mott, kl. 10

Solving the electronic structure problem with plane-wave basis set.

Literature: Richard M. Martin, Electronic Structure. Basic Theory and Practical Methods (Cambridge University Press, Cambridge, 2004), §§11.2,11.3, Ch. 12

 

Lecture 7. Friday, 11-11-25, Mott, kl. 10

Introduction into the pseudopotential method and PAW technique.

Literature: Richard M. Martin, Electronic Structure. Basic Theory and Practical Methods (Cambridge University Press, Cambridge, 2004), Ch.11, 13, Lecture Notes.

     

Lecture 8. Tuesday, 11-11-29, Mott, kl. 10

Introduction into the multiple-scattering theory. Green's function technique. The coherent potential approximation

Literature: Richard M. Martin, Electronic Structure. Basic Theory and Practical Methods (Cambridge University Press, Cambridge, 2004), Appendix J, Ch.16, 17         

Lecture 9. Friday, 11-12-09, Mott, kl. 10

Linear scaling methods.

Literature: Richard M. Martin, Electronic Structure. Basic Theory and Practical Methods (Cambridge University Press, Cambridge, 2004), Ch. 23, Lecture Notes.

     

Lecture 10. Wednesday, 11-12-14, Mott, kl. 10

From zero temperature calculations towards finite temperatures.

Literature: Richard M. Martin, Electronic Structure. Basic Theory and Practical Methods (Cambridge University Press, Cambridge, 2004), Overview of Ch. 18,19

 

Examinations (project presentations) are planned for Week 3-4 in 2012.


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Last updated: 10/10/11