Gaia
Oinarrizko Fisikaren Gaiak
Gaiari buruzko datu orokorrak
- Modalitatea
- Ikasgelakoa
- Hizkuntza
- Ingelesa
Irakasleak
Izena | Erakundea | Kategoria | Doktorea | Irakaskuntza-profila | Arloa | Helbide elektronikoa |
---|---|---|---|---|---|---|
BERGARA JAUREGUI, AITOR | Euskal Herriko Unibertsitatea | Unibertsitateko Irakaslego Titularra | Doktorea | Elebiduna | Materia Kondentsatuaren Fisika | a.bergara@ehu.eus |
LEONARDO LICERANZU, ARITZ | Euskal Herriko Unibertsitatea | Irakaslego Agregatua | Doktorea | Elebiduna | Fisika Aplikatua | aritz.leonardo@ehu.eus |
Gaitasunak
Izena | Pisua |
---|---|
Gai teorikoen ezagutza eta aurkezteko gaitasuna | 15.0 % |
Problemak ebaztea | 70.0 % |
Gai zerrendan esplizituki agertzen ez den kuestio bat aurkezteko gaitasuna | 15.0 % |
Irakaskuntza motak
Mota | Ikasgelako orduak | Ikasgelaz kanpoko orduak | Orduak guztira |
---|---|---|---|
Magistrala | 24 | 32 | 56 |
Mintegia | 16 | 28 | 44 |
Ebaluazio-sistemak
Izena | Gutxieneko ponderazioa | Gehieneko ponderazioa |
---|---|---|
Ahozko azterketa | 25.0 % | 25.0 % |
Azalpenak | 25.0 % | 25.0 % |
Garatu beharreko galderak | 25.0 % | 25.0 % |
Lan praktikoak | 25.0 % | 25.0 % |
Irakasgai-zerrenda
- Density Functional Theory (DFT).Introduction: What is a Kohn-Sham calculation?
Functionals: What is a functional? Functional derivatives. Euler-Lagrange equations.
One electron systems: Variational principle, trial wave-functions.
Two electron systems: Antisymmetry, Hartree-Fock and correlation.
Many electron systems: ground state and Hartree-Fock.
Density Functional Theory: Hohenberg-Kohn theorem and Thomas-Fermi.
Kohn-Sham equations: Exchange and correlations.
The Local Density Approximation: uniform electron gas.
Exchange-correlation hole: Density matrices and holes, Hooke’s atom and Transferability of a hole.
-DFT in practice
Overview of electronic structure codes
Hands on Quantum-espresso: Plane waves; Pseudo-potential calculations: total energy,
bands, relaxations; Non-collinear calculations: magnetism and spin-orbit coupling; Density
functional perturbation theory: phonons and external fields.
Bibliografia
Oinarrizko bibliografia
.R. Martin, "Electronic Structure: Basic Theory and Practical Methods".Cambridge University Press, 2004.
C. Fiolhais, M. A.L. Marques, F. Nogueira (Eds.), "A Primer in Density
Functional Theory". Lecture Notes in Physics; Springer-Verlag Berlin
Heidelberg, 2003.
D.S. Sholl and J.A. Steckel, "Density Functional Theory: A practical
Introduction". Willey, 2009.
K. Burke, "The ABC of DFT". Department of Chemistry, University of
California, Irvine, 2007.
C.A. Ullrich, "Time-Dependent Density-Functional Theory: Concepts and
Applications". Oxford University Press, 2011.
N.W. Ashcroft and D. Mermin, "Solid State Physics". Saunders College, 1976.