In the following we will look at Hartree-Fock Theory, which is the starting point for many quantum chemical methods like MP2 or CCSD.
Starting from the wave function Ansatz we will derive the Hartree-Fock …
read moreSolution of the Hartree-Fock equations
We already took a look at the Hartree-Fock equations and introduced the Fock operator. This post can be seen as a continuation. We will now take a closer look at how actually to solve …
read more