4/10 Where all begins: adiabatic approximation. (slides,video)

6/10 Electrons moving in an effective potential.(slides, video)

11/10 Variational principle for the electronic problem. The Hartree-Fock self-consistent equations.(slides, video ,video 2022-10-12 )

13/10 Hund's rules. Koopmans' theorems.  (slides, video, video 2022-10-13

17/10 Building up the periodic table. Homogeneous electron gas.(slides, video ,  video 2022-10-18 )

19/10 Band magnetism Wigner Crystal (slides)   (video) video 2022-10-20

24/10 Density-Functional Theory. HK theorem, the KS equations. Jacob's ladder of xc functionals. (slides) (video) video 2022-10-26

26/10 The standard model of DFT: LDA, GGA. Successes and problematic cases (slides) (video) (slides2) video 2022-10-27
 

2/11

end of previous topic-> beginning of

Band gap ''problem'' in DFT. The GW approximation.(slides)  video 2022-11-02

8/11

end of previous topic -> beginning of

Electronic structure of solids: Bloch theorem, basis set expansions, spectral methods (FFT), k-point sampling, pseudopotentials and the like. (slides) (video) video 2022-11-08

 10/11

continuation of

Electronic structure of solids: Bloch theorem, basis set expansions, spectral methods (FFT), k-point sampling, pseudopotentials and the like. (slides) video 2020-11-10

22/11

continuation of

Electronic structure of solids: Bloch theorem, basis set expansions, spectral methods (FFT), k-point sampling, pseudopotentials and the like. (slides) video 2022-11-22

24/11

end of previous topic ->

Don't panic .... introduction to QE (slides,JPCM_2009,JPCM-2017) (video) video 2022-11-24

29/11

An almost free lunch: Hellmann-Feynman and Stress theorems. Structural optimization. Molecular Dynamics. Parrinello-Raman and Wentzcovitch dynamics. (slides) (video)   video 2022-11-29

1/12

Car-Parrinello method. (slides) Examples (PW/examples/example02-example03-VCSexample; CPV/examples/example01-example02-example03) (video)

Ab initio thermodynamics, catalysis,... (slides)

Crystal Structure Prediction from first principles, (slides)... and second principles

29/11

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