Density functional theory and time-dependent density functional theory

Prof. Luis A. Montero-Cabrera
University of la Habana, Cuba

DIPC seminar room

April, 2019

This course was an introduction to density functional theory and time-dependent density functional theory, with a particular aim at understanding and interpretation of what theory can do and the results of calculations.

The course consisted in 4 lectures of 90 minutes each, held in the DIPC seminar room:

  • The density matrix.
  • Density functional theory: Concepts. Kohn-Sham approximations. Functionals. Applications to molecular modeling.
  • Modeling time dependent electronic processes: Working with Time-Dependent Hamiltonians. Electron excitations as linear response to weak perturbations. Applications of TD-DFT for electron excitations of molecules.

Course shared documents