Wave function theory
Wave function theory#
In this section we will describe commonly adopted wave function methods.
Introduction to the concepts of Hartree-Fock theory and an implementation of the self-consistent field algorithm.
A presentation and implementation of full and truncated configuration interaction methods.
A description and implementation of second order Møller-Plesset perturbation theory.
A description of dynamic vs static/strong correlation, and a presentation and implementation of multiconfigurational self-consistent field.