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Рождественские лекции 2017 с 27 ноября, библиотека


	

«PhD course in Electronic Structure Theory»

Lecture 1, September 4, kl. 10, Mott

General information and introduction into the course. 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          

 

Lecture 2, September 11, kl. 10, Mott

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, Ch. 5

 

Lecture 3, September 25, kl. 10, Mott

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 (except §7.3)

 

Lecture 4, October 2, kl. 10, Mott

Functionals for exchange and correlation.

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

A. V. Ruban and I. A. Abrikosov, Rep. Prog. Phys. 71, 046501 (2008), §2.3;

Lecture Notes and references wherein.

 

 

Lecture 5, October 9, kl. 10, Mott

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, October 16, kl. 10, Mott

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

Scattering problem: a single scatterer.

Literature: Richard M. Martin, Electronic Structure. Basic Theory and Practical Methods (Cambridge University Press, Cambridge, 2004), Ch. 12,13, Appendix J, Ch.11

 

Lecture 7, October 23, kl. 10, Mott

Introduction into the multiple-scattering theory. Green's function technique.

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.16, 17, Ch.11, Lecture Notes.

              

Lecture 8, November 6, kl. 10, Mott

Treatment of defects and disorder: the coherent potential approximation and the supercell approach. Linear scaling methods.

Literature: Richard M. Martin, Electronic Structure. Basic Theory and Practical Methods (Cambridge University Press, Cambridge, 2004), §16.4, Ch. 23, Lecture Notes.

              

Lecture 9, November 13, kl. 10, Mott

Molecular dynamics.

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

 

Lecture 10, November 20, kl. 10, Mott

Lattice and spin dynamics from electronic structure theory.

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

 

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