Wave function theory#

In this section we will describe commonly adopted wave function methods.

  • Hartree–Fock
    Introduction to the concepts of Hartree-Fock theory and an implementation of the self-consistent field algorithm.

  • Configuration interaction
    A presentation and implementation of full and truncated configuration interaction methods.

  • Møller–Plesset
    A description and implementation of second order Møller-Plesset perturbation theory.

  • Multiconfigurational methods
    A description of dynamic vs static/strong correlation, and a presentation and implementation of multiconfigurational self-consistent field.