Introduction to Hartree-Fock Molecular Orbital Theory

Each pair of electrons (in orbitals iand j) has a “Coulomb integral”: Probability electron 1 in orbital i is located at x 1 Probability electron 2 in orbital jis located at x 2 Coulomb repulsion between electron at x 1 and electron at x 2 Integrate over all possible locations for the electrons Overall this integral represents the Coulomb

  Introduction, Theory, Molecular, Orbitals, Kofc, Hartree, Introduction to hartree fock molecular orbital theory