FYSS5540 Tiheysfunktionaaliteoria (8 op)

Opinnon taso:
Syventävät opinnot
Arviointiasteikko:
0-5
Suorituskieli:
englanti
Vastuuorganisaatio:
Fysiikan laitos
Opetussuunnitelmakaudet:
2020-2021, 2021-2022, 2022-2023, 2023-2024

Kuvaus

  • Hohenberg-Kohn theorem

  • Kohn-Sham equations

  • Exchange-correlation functionals

  • Correlation functions

  • Local density approximation

  • Gradient expansion and orbital functionals

  • Time-dependent density functional theory

  • Linear response theory

  • Calculation of excitation energies

  • Extensions of density functional theory 

Osaamistavoitteet

At the end of this course, students will be able to

  • Prove the Hohenberg-Kohn theorem

  • Describe the basic ideas behind the Kohn-Sham equations

  • Present the basic idea underlying the local density approximation

  • Describe the physical ideas behind the density gradient expansion

  • Explain electron correlation in terms of pair-correlation functions

  • Derive the adiabatic connection formula

  • Derive the density-potential mapping in the time-dependent case

  • Explain linear response density functional theory

  • Explain how excitations energies are calculated

  • Write a report on a topic related to density functional theory 

Esitietojen kuvaus

Good knowledge of quantum mechanics 

Oppimateriaalit

Lecture notes and background articles

Suoritustavat

Tapa 1

Kuvaus:
Given every two years starting from 2020.
Arviointiperusteet:
Grade is based on exercises and project report (e.g. exercises 50 % and report 50 %).
Opetusajankohta:
Periodi 1, Periodi 2
Valitaan kaikki merkityt osat
Suoritustapojen osat
x

Osallistuminen opetukseen (8 op)

Tyyppi:
Osallistuminen opetukseen
Arviointiasteikko:
0-5
Arviointiperusteet:
Grade is based on exercises and project report (e.g. exercises 50 % and report 50 %).
Suorituskieli:
englanti
Työskentelytavat:
  • Lectures

  • Exercises

  • Small project and reporting 

Opetus