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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.

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

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

Electronic ground states
Symmetry
Electronic ground states
Hartree–Fock