Lec 7 MIT 3.320 Atomistic Computer Modeling of Materials
NICOLA MARZARI: --for all our applications and for the lab sessions. I guess I keep using Albert Einstein. This is the 100th anniversary of his sort of famous year, 1905, so just a little celebration. One slide of a reminder of what we have seen in the previous lecture, we have really developed the formalism leading to the Hartree-Fock equations. And the Hartree-Fock equation follow from a set of very simple and very beautiful path. We have the Schrodinger equation, and we have reformulated the Schrodinger equation in terms of the variational principle. So we have a functional. And we know that we can throw into that functional any arbitrary wave function, and it'll give us an expectation value of the energy. And sort of the closer we get to the true ground state wave function, the lower that energy is going to be. We are never going to go below the ground state energy. And so it's sort of a very powerful approach to try out sorts of possibilities and solution. An...