FYSS5540 Density Functional Theory (8 cr)

Study level:
Advanced studies
Grading scale:
0-5
Language:
English
Responsible organisation:
Department of Physics
Curriculum periods:
2024-2025, 2025-2026, 2026-2027, 2027-2028

Description

  • 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 

Learning outcomes

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 

Description of prerequisites

Good knowledge of quantum mechanics 

Study materials

Lecture notes and background articles

Completion methods

Method 1

Description:
Given every two years.
Evaluation criteria:
Grade is based on exercises and project report (e.g. exercises 50 % and report 50 %).
Time of teaching:
Period 1, Period 2
Select all marked parts
Parts of the completion methods
x

Teaching (8 cr)

Type:
Participation in teaching
Grading scale:
0-5
Language:
English
No published teaching