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.